O0M
- Molecular formula
- C15 H23 N O
- Molecular weight (g/mol)
- 233.35
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol
- SMILES
- CC(C)c1ccc(cc1)CN2CCC(CC2)O
- Isomeric SMILES
- CC(C)c1ccc(cc1)CN2CCC(CC2)O
- InChI
- InChI=1S/C15H23NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3-6,12,15,17H,7-11H2,1-2H3
- InChIKey
- CFAILTWQQPILFW-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 2
- HBD
- 1
- TPSA (Ų)
- 23.47
- cLogP
- 2.77
- Chiral atoms
- 0
- Molar refractivity
- 71.05
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.6
- Formal charge
- 0
Calculated properties
QED0.867
NPScore-0.041770215
SAScore7.293743505