3-phenyl-1-(piperidin-4-yl)propan-1-ol

• ChemBase ID: 306879
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: N1CCC(C(CCc2ccccc2)O)CC1
• Canonical SMILES: OC(C1CCNCC1)CCc1ccccc1
• InChI: InChI=1S/C14H21NO/c16-14(13-8-10-15-11-9-13)7-6-12-4-2-1-3-5-12/h1-5,13-16H,6-11H2
• InChIKey: KSJVCEXVUFHCQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-1-(piperidin-4-yl)propan-1-ol
• IUPAC Traditional name: 3-phenyl-1-(piperidin-4-yl)propan-1-ol
• Synonyms: 3-phenyl-1-piperidin-4-ylpropan-1-ol

Database IDs

• CAS Number: 24152-52-1
• MDL Number: MFCD08059783

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1178294
• LogD (pH = 7.4): -0.44723588
• Log P: 2.103252
• Molar Refractivity: 66.8745 cm^3
• Polarizability: 26.424929 Å^3
• Polar Surface Area: 32.26 Å^2