methyl 4-aminopiperidine-1-carboxylate

• ChemBase ID: 263607
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: N1(C(=O)OC)CCC(CC1)N
• Canonical SMILES: COC(=O)N1CCC(CC1)N
• InChI: InChI=1S/C7H14N2O2/c1-11-7(10)9-4-2-6(8)3-5-9/h6H,2-5,8H2,1H3
• InChIKey: KFWGZKDLWYAABS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-aminopiperidine-1-carboxylate
• IUPAC Traditional name: methyl 4-aminopiperidine-1-carboxylate
• Synonyms: methyl 4-aminopiperidine-1-carboxylate

Database IDs

• MDL Number: MFCD11128922
• PubChem SID: 164319517
• PubChem CID: 28377655

CALCULATED PROPERTIES

• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.770291
• LogD (pH = 7.4): -3.201297
• Log P: -0.7524673
• Molar Refractivity: 41.2647 cm^3
• Polarizability: 16.35 Å^3

PROPERTIES

Physical Property

• Melting Point: 40 - 42°C
• Hydrophobicity(logP): -0.356

Product Information

• Purity: 95%