N-benzyl-N-ethylpiperidin-4-amine dihydrochloride

• ChemBase ID: 48031
• Molecular Formular: C14H24Cl2N2
• Molecular Mass: 291.25976
• Monoisotopic Mass: 290.13165414
• SMILES: N(Cc1ccccc1)(C1CCNCC1)CC.Cl.Cl
• Canonical SMILES: CCN(C1CCNCC1)Cc1ccccc1.Cl.Cl
• InChI: InChI=1S/C14H22N2.2ClH/c1-2-16(14-8-10-15-11-9-14)12-13-6-4-3-5-7-13;;/h3-7,14-15H,2,8-12H2,1H3;2*1H
• InChIKey: XJUJSCSNYXLJGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-ethylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: N-benzyl-N-ethylpiperidin-4-amine dihydrochloride
• Synonyms: N-Benzyl-N-ethyl-4-piperidinamine dihydrochloride

Database IDs

• CAS Number: 871112-87-7
• MDL Number: MFCD05983655
• PubChem SID: 162052794
• PubChem CID: 2912985

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.903181
• LogD (pH = 7.4): -1.7146987
• Log P: 1.9152087
• Molar Refractivity: 69.5057 cm^3
• Polarizability: 27.447319 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