2-(piperidin-2-yl)acetic acid

• ChemBase ID: 17751
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C(C(=O)O)C1NCCCC1
• Canonical SMILES: OC(=O)CC1CCCCN1
• InChI: InChI=1S/C7H13NO2/c9-7(10)5-6-3-1-2-4-8-6/h6,8H,1-5H2,(H,9,10)
• InChIKey: PRNLNZMJMCUWNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-2-yl)acetic acid
• IUPAC Traditional name: piperidin-2-ylacetic acid
• Synonyms: Piperidin-2-yl-acetic acid; 2-piperidinylacetic acid; piperidin-2-ylacetic acid

Database IDs

• CAS Number: 19832-04-3
• MDL Number: MFCD02667638
• PubChem SID: 160981058
• PubChem CID: 3164325

CALCULATED PROPERTIES

• Acid pKa: 3.9294257
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0485919
• LogD (pH = 7.4): -2.0396314
• Log P: -2.039534
• Molar Refractivity: 37.2896 cm^3
• Polarizability: 14.9515705 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false