N-methyl-N-[2-(piperidin-3-yl)ethyl]cyclohexanamine dihydrochloride

• ChemBase ID: 48110
• Molecular Formular: C14H30Cl2N2
• Molecular Mass: 297.3074
• Monoisotopic Mass: 296.17860433
• SMILES: N(CCC1CNCCC1)(C1CCCCC1)C.Cl.Cl
• Canonical SMILES: CN(C1CCCCC1)CCC1CCCNC1.Cl.Cl
• InChI: InChI=1S/C14H28N2.2ClH/c1-16(14-7-3-2-4-8-14)11-9-13-6-5-10-15-12-13;;/h13-15H,2-12H2,1H3;2*1H
• InChIKey: ZKYQTFDOOFBZEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(piperidin-3-yl)ethyl]cyclohexanamine dihydrochloride
• IUPAC Traditional name: N-methyl-N-[2-(piperidin-3-yl)ethyl]cyclohexanamine dihydrochloride
• Synonyms: N-Methyl-N-[2-(3-piperidinyl)ethyl]-cyclohexanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561652
• PubChem SID: 162052873
• PubChem CID: 53410909

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1894608
• LogD (pH = 7.4): -3.4341521
• Log P: 2.5383675
• Molar Refractivity: 70.5777 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