ethyl 4-[(4-aminopiperidin-1-yl)methyl]piperidine-1-carboxylate dihydrochloride

• ChemBase ID: 55323
• Molecular Formular: C14H29Cl2N3O2
• Molecular Mass: 342.30496
• Monoisotopic Mass: 341.16368254
• SMILES: N1(C(=O)OCC)CCC(CN2CCC(CC2)N)CC1.Cl.Cl
• Canonical SMILES: CCOC(=O)N1CCC(CC1)CN1CCC(CC1)N.Cl.Cl
• InChI: InChI=1S/C14H27N3O2.2ClH/c1-2-19-14(18)17-9-3-12(4-10-17)11-16-7-5-13(15)6-8-16;;/h12-13H,2-11,15H2,1H3;2*1H
• InChIKey: IXPRGWXQZOYZBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-[(4-aminopiperidin-1-yl)methyl]piperidine-1-carboxylate dihydrochloride
• IUPAC Traditional name: ethyl 4-[(4-aminopiperidin-1-yl)methyl]piperidine-1-carboxylate dihydrochloride
• Synonyms: Ethyl 4-[(4-aminopiperidin-1-yl)methyl]piperidine-1-carboxylate dihydrochloride

Database IDs

• MDL Number: MFCD13857431
• PubChem SID: 162060086
• PubChem CID: 56773556

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.96004
• LogD (pH = 7.4): -3.9692903
• Log P: 0.09174757
• Molar Refractivity: 76.2824 cm^3
• Polarizability: 30.013216 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false