2-(4-aminopiperidin-1-yl)acetamide

• ChemBase ID: 252930
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: N1(CC(=O)N)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CC(=O)N
• InChI: InChI=1S/C7H15N3O/c8-6-1-3-10(4-2-6)5-7(9)11/h6H,1-5,8H2,(H2,9,11)
• InChIKey: JWRVCVWALQWYIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)acetamide
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)acetamide
• Synonyms: 2-(4-amino-1-piperidinyl)acetamide; 2-(4-aminopiperidin-1-yl)acetamide

Database IDs

• CAS Number: 882562-51-8
• MDL Number: MFCD08691236
• PubChem SID: 164308840
• PubChem CID: 16227511

CALCULATED PROPERTIES

• Acid pKa: 16.497852
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.081675
• LogD (pH = 7.4): -4.696664
• Log P: -1.9276121
• Molar Refractivity: 43.2767 cm^3
• Polarizability: 17.160337 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): -1.718

Product Information

• Purity: 95%