2-(4-phenylpiperidin-1-yl)ethan-1-ol

• ChemBase ID: 306667
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N1(CCC(CC1)c1ccccc1)CCO
• Canonical SMILES: OCCN1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C13H19NO/c15-11-10-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
• InChIKey: MCZUBQLMYYFSGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylpiperidin-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(4-phenylpiperidin-1-yl)ethanol
• Synonyms: 2-(4-phenylpiperidin-1-yl)ethanol

Database IDs

• CAS Number: 56953-33-4
• MDL Number: MFCD08691434

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4242513
• LogD (pH = 7.4): 0.174123
• Log P: 1.7712567
• Molar Refractivity: 63.066 cm^3
• Polarizability: 24.577919 Å^3
• Polar Surface Area: 23.47 Å^2