4-aminopiperidin-2-one hydrochloride

• ChemBase ID: 67464
• Molecular Formular: C5H11ClN2O
• Molecular Mass: 150.60664
• Monoisotopic Mass: 150.05599066
• SMILES: N1C(=O)CC(CC1)N.Cl
• Canonical SMILES: NC1CCNC(=O)C1.Cl
• InChI: InChI=1S/C5H10N2O.ClH/c6-4-1-2-7-5(8)3-4;/h4H,1-3,6H2,(H,7,8);1H
• InChIKey: CCWIFZGLLVKIRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminopiperidin-2-one hydrochloride
• IUPAC Traditional name: 4-aminopiperidin-2-one hydrochloride
• Synonyms: 4-Amino-2-piperidinone hydrochloride; 4-Aminopiperidin-2-one hydrochloride

Database IDs

• CAS Number: 1260883-24-6
• MDL Number: MFCD12913634
• PubChem SID: 162033199
• PubChem CID: 19980259

CALCULATED PROPERTIES

• Acid pKa: 14.827441
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.514265
• LogD (pH = 7.4): -3.4468079
• Log P: -1.5455275
• Molar Refractivity: 29.9883 cm^3
• Polarizability: 11.95924 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%