methyl 4-aminopiperidine-4-carboxylate dihydrochloride

• ChemBase ID: 273286
• Molecular Formular: C7H16Cl2N2O2
• Molecular Mass: 231.12014
• Monoisotopic Mass: 230.05888312
• SMILES: C1(C(=O)OC)(N)CCNCC1.Cl.Cl
• Canonical SMILES: COC(=O)C1(N)CCNCC1.Cl.Cl
• InChI: InChI=1S/C7H14N2O2.2ClH/c1-11-6(10)7(8)2-4-9-5-3-7;;/h9H,2-5,8H2,1H3;2*1H
• InChIKey: WSZRCPOUAKWVDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09998913
• PubChem SID: 164329196
• PubChem CID: 22907214

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.7717514
• LogD (pH = 7.4): -3.228692
• Log P: -1.1296761
• Molar Refractivity: 40.9687 cm^3
• Polarizability: 16.72713 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 282 - 284°C
• Hydrophobicity(logP): -1.236

Product Information

• Purity: 95%