2-(piperidin-4-yl)propan-1-ol

• ChemBase ID: 309044
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1CCC(C(CO)C)CC1
• Canonical SMILES: OCC(C1CCNCC1)C
• InChI: InChI=1S/C8H17NO/c1-7(6-10)8-2-4-9-5-3-8/h7-10H,2-6H2,1H3
• InChIKey: SELWGLUXAIGHLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)propan-1-ol
• IUPAC Traditional name: 2-(piperidin-4-yl)propan-1-ol
• Synonyms: 2-(4-piperidinyl)-1-propanol

Database IDs

• CAS Number: 89151-39-3
• MDL Number: MFCD12827524

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9141965
• LogD (pH = 7.4): -2.4572823
• Log P: 0.31736964
• Molar Refractivity: 42.3853 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2