N-ethyl-N-[2-(piperidin-4-yl)ethyl]cyclohexanamine dihydrochloride

• ChemBase ID: 48141
• Molecular Formular: C15H32Cl2N2
• Molecular Mass: 311.33398
• Monoisotopic Mass: 310.19425439
• SMILES: N(CCC1CCNCC1)(C1CCCCC1)CC.Cl.Cl
• Canonical SMILES: CCN(C1CCCCC1)CCC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C15H30N2.2ClH/c1-2-17(15-6-4-3-5-7-15)13-10-14-8-11-16-12-9-14;;/h14-16H,2-13H2,1H3;2*1H
• InChIKey: JDAZCVRVPKAQGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[2-(piperidin-4-yl)ethyl]cyclohexanamine dihydrochloride
• IUPAC Traditional name: N-ethyl-N-[2-(piperidin-4-yl)ethyl]cyclohexanamine dihydrochloride
• Synonyms: N-Ethyl-N-[2-(4-piperidinyl)ethyl]cyclohexanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561681
• PubChem SID: 162052904
• PubChem CID: 56831705

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.911743
• LogD (pH = 7.4): -3.2196395
• Log P: 2.8172219
• Molar Refractivity: 75.4033 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