N-ethyl-N-(piperidin-2-ylmethyl)cyclohexanamine dihydrochloride

• ChemBase ID: 48198
• Molecular Formular: C14H30Cl2N2
• Molecular Mass: 297.3074
• Monoisotopic Mass: 296.17860433
• SMILES: N(CC1NCCCC1)(C1CCCCC1)CC.Cl.Cl
• Canonical SMILES: CCN(C1CCCCC1)CC1CCCCN1.Cl.Cl
• InChI: InChI=1S/C14H28N2.2ClH/c1-2-16(14-9-4-3-5-10-14)12-13-8-6-7-11-15-13;;/h13-15H,2-12H2,1H3;2*1H
• InChIKey: RQTURBOCIRFPGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(piperidin-2-ylmethyl)cyclohexanamine dihydrochloride
• IUPAC Traditional name: N-ethyl-N-(piperidin-2-ylmethyl)cyclohexanamine dihydrochloride
• Synonyms: N-Ethyl-N-(2-piperidinylmethyl)cyclohexanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561738
• PubChem SID: 162052961
• PubChem CID: 56831758

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4008151
• LogD (pH = 7.4): 0.004759667
• Log P: 2.8919778
• Molar Refractivity: 70.2875 cm^3
• Polarizability: 28.150137 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false