methyl 3-aminopiperidine-1-carboxylate

• ChemBase ID: 266223
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: N1(C(=O)OC)CC(N)CCC1
• Canonical SMILES: COC(=O)N1CCCC(C1)N
• InChI: InChI=1S/C7H14N2O2/c1-11-7(10)9-4-2-3-6(8)5-9/h6H,2-5,8H2,1H3
• InChIKey: QSPHDAVASCLQCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-aminopiperidine-1-carboxylate
• IUPAC Traditional name: methyl 3-aminopiperidine-1-carboxylate
• Synonyms: methyl 3-aminopiperidine-1-carboxylate

Database IDs

• MDL Number: MFCD14617756
• PubChem SID: 164322133
• PubChem CID: 22273098

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2742045
• LogD (pH = 7.4): -2.2708213
• Log P: -0.29506433
• Molar Refractivity: 41.0439 cm^3
• Polarizability: 16.35 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.447

Product Information

• Purity: 95%