Mrv1572003281619542D          

 21 23  0  0  0  0            999 V2000
   -1.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5787   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5787    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8162    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8162   -0.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11584

> <DATABASE_NAME>
drugbank

> <SMILES>
[H]N1CCCCC1C(O)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H21NO/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17,19-20H,7-8,13-14H2

> <INCHI_KEY>
XSWHNYGMWWVAIE-UHFFFAOYSA-N

> <FORMULA>
C18H21NO

> <MOLECULAR_WEIGHT>
267.372

> <EXACT_MASS>
267.1623143

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
30.592061042702472

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
diphenyl(piperidin-2-yl)methanol

> <ALOGPS_LOGP>
3.36

> <JCHEM_LOGP>
3.320915131

> <ALOGPS_LOGS>
-3.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.880800556063111

> <JCHEM_PKA_STRONGEST_BASIC>
9.533847818970035

> <JCHEM_POLAR_SURFACE_AREA>
32.26

> <JCHEM_REFRACTIVITY>
81.78390000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.06e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pipradrol

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11584

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Pipradrol

> <SYNONYMS>
Pipradrol

> <PRODUCTS>
Alertonic

> <SALTS>
Pipradrol hydrochloride

$$$$