ethyl 4-amino-1-methylpiperidine-4-carboxylate dihydrochloride

• ChemBase ID: 244362
• Molecular Formular: C9H20Cl2N2O2
• Molecular Mass: 259.1733
• Monoisotopic Mass: 258.09018325
• SMILES: C1(C(=O)OCC)(CCN(CC1)C)N.Cl.Cl
• Canonical SMILES: CCOC(=O)C1(N)CCN(CC1)C.Cl.Cl
• InChI: InChI=1S/C9H18N2O2.2ClH/c1-3-13-8(12)9(10)4-6-11(2)7-5-9;;/h3-7,10H2,1-2H3;2*1H
• InChIKey: VVVOIRKGELABTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-amino-1-methylpiperidine-4-carboxylate dihydrochloride
• IUPAC Traditional name: ethyl 4-amino-1-methylpiperidine-4-carboxylate dihydrochloride
• Synonyms: ethyl 4-amino-1-methylpiperidine-4-carboxylate dihydrochloride

Database IDs

• MDL Number: MFCD22628512
• PubChem SID: 164300272
• PubChem CID: 71757487

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5087948
• LogD (pH = 7.4): -1.4077461
• Log P: -0.38982028
• Molar Refractivity: 51.012 cm^3
• Polarizability: 20.40019 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.431

Product Information

• Purity: 95%