2-(piperidin-4-yl)propanoic acid

• ChemBase ID: 307942
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(C(C1CCNCC1)C)O
• Canonical SMILES: CC(C(=O)O)C1CCNCC1
• InChI: InChI=1S/C8H15NO2/c1-6(8(10)11)7-2-4-9-5-3-7/h6-7,9H,2-5H2,1H3,(H,10,11)
• InChIKey: ZSFHGXOMOOJAGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)propanoic acid
• IUPAC Traditional name: 2-(piperidin-4-yl)propanoic acid
• Synonyms: 2-(4-piperidinyl)propanoic acid

Database IDs

• CAS Number: 90205-09-7
• MDL Number: MFCD11899359

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8979434
• LogD (pH = 7.4): -1.8604182
• Log P: -1.8609328
• Molar Refractivity: 42.2249 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 49.33 Å^2