1-(2-aminoacetyl)piperidine-4-carboxamide hydrochloride

• ChemBase ID: 263807
• Molecular Formular: C8H16ClN3O2
• Molecular Mass: 221.68454
• Monoisotopic Mass: 221.09310445
• SMILES: N1(C(=O)CN)CCC(C(=O)N)CC1.Cl
• Canonical SMILES: NCC(=O)N1CCC(CC1)C(=O)N.Cl
• InChI: InChI=1S/C8H15N3O2.ClH/c9-5-7(12)11-3-1-6(2-4-11)8(10)13;/h6H,1-5,9H2,(H2,10,13);1H
• InChIKey: RHAMKHYLUKORDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoacetyl)piperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: 1-(2-aminoacetyl)piperidine-4-carboxamide hydrochloride
• Synonyms: 1-(2-aminoacetyl)piperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD13196175
• PubChem SID: 164319717
• PubChem CID: 45792426

CALCULATED PROPERTIES

• Acid pKa: 16.350164
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.7288265
• LogD (pH = 7.4): -3.044743
• Log P: -2.240898
• Molar Refractivity: 47.8231 cm^3
• Polarizability: 18.72639 Å^3
• Polar Surface Area: 89.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240 - 242°C
• Hydrophobicity(logP): -2.698

Product Information

• Purity: 95%