N-ethyl-N-[2-(piperidin-2-yl)ethyl]cyclohexanamine dihydrochloride

• ChemBase ID: 48084
• Molecular Formular: C15H32Cl2N2
• Molecular Mass: 311.33398
• Monoisotopic Mass: 310.19425439
• SMILES: N(CCC1NCCCC1)(C1CCCCC1)CC.Cl.Cl
• Canonical SMILES: CCN(C1CCCCC1)CCC1CCCCN1.Cl.Cl
• InChI: InChI=1S/C15H30N2.2ClH/c1-2-17(15-9-4-3-5-10-15)13-11-14-8-6-7-12-16-14;;/h14-16H,2-13H2,1H3;2*1H
• InChIKey: JEZSFRDZNWWECA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[2-(piperidin-2-yl)ethyl]cyclohexanamine dihydrochloride
• IUPAC Traditional name: N-ethyl-N-[2-(piperidin-2-yl)ethyl]cyclohexanamine dihydrochloride
• Synonyms: N-Ethyl-N-[2-(2-piperidinyl)ethyl]cyclohexanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561626
• PubChem SID: 162052847
• PubChem CID: 56831647

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.339616
• LogD (pH = 7.4): -1.4735001
• Log P: 2.9519374
• Molar Refractivity: 75.1529 cm^3
• Polarizability: 29.996716 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false