4-(piperidin-1-yl)butanoic acid

• ChemBase ID: 307605
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: N1(CCCC(=O)O)CCCCC1
• Canonical SMILES: OC(=O)CCCN1CCCCC1
• InChI: InChI=1S/C9H17NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-8H2,(H,11,12)
• InChIKey: BGAVZPPPWLEAKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)butanoic acid
• IUPAC Traditional name: butyric acid, 4-piperidino-
• Synonyms: 4-piperidin-1-ylbutanoic acid

Database IDs

• CAS Number: 4672-16-6
• MDL Number: MFCD01737374

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7158893
• LogD (pH = 7.4): -1.686886
• Log P: -1.6868597
• Molar Refractivity: 47.6691 cm^3
• Polarizability: 18.621471 Å^3
• Polar Surface Area: 40.54 Å^2