3-(piperidin-1-yl)butanoic acid

• ChemBase ID: 308237
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: C(C(=O)O)C(N1CCCCC1)C
• Canonical SMILES: CC(N1CCCCC1)CC(=O)O
• InChI: InChI=1S/C9H17NO2/c1-8(7-9(11)12)10-5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)
• InChIKey: JTTZPHBCJGTUME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-1-yl)butanoic acid
• IUPAC Traditional name: 3-(piperidin-1-yl)butanoic acid
• Synonyms: 3-(1-piperidinyl)butanoic acid

Database IDs

• CAS Number: 764633-91-2
• MDL Number: MFCD09971288

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5688357
• LogD (pH = 7.4): -1.5588235
• Log P: -1.5586882
• Molar Refractivity: 47.3329 cm^3
• Polarizability: 18.621471 Å^3
• Polar Surface Area: 40.54 Å^2