4-(piperidin-1-yl)pentanoic acid

• ChemBase ID: 308671
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: N1(C(CCC(=O)O)C)CCCCC1
• Canonical SMILES: CC(N1CCCCC1)CCC(=O)O
• InChI: InChI=1S/C10H19NO2/c1-9(5-6-10(12)13)11-7-3-2-4-8-11/h9H,2-8H2,1H3,(H,12,13)
• InChIKey: SVLPDZLNYJZNFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)pentanoic acid
• IUPAC Traditional name: 4-(piperidin-1-yl)pentanoic acid
• Synonyms: 4-(1-piperidinyl)pentanoic acid

Database IDs

• CAS Number: 805181-60-6
• MDL Number: MFCD11054005

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3031193
• LogD (pH = 7.4): -1.2703696
• Log P: -1.2707177
• Molar Refractivity: 52.0879 cm^3
• Polarizability: 20.459267 Å^3
• Polar Surface Area: 40.54 Å^2