benzyl(ethyl)(piperidin-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 48203
• Molecular Formular: C15H26Cl2N2
• Molecular Mass: 305.28634
• Monoisotopic Mass: 304.1473042
• SMILES: N1C(CN(Cc2ccccc2)CC)CCCC1.Cl.Cl
• Canonical SMILES: CCN(Cc1ccccc1)CC1CCCCN1.Cl.Cl
• InChI: InChI=1S/C15H24N2.2ClH/c1-2-17(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16-15;;/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3;2*1H
• InChIKey: SGKMYDYEAHDVHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(ethyl)(piperidin-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: benzyl(ethyl)(piperidin-2-ylmethyl)amine dihydrochloride
• Synonyms: N-Benzyl-N-(2-piperidinylmethyl)-1-ethanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561743
• PubChem SID: 162052966
• PubChem CID: 56831759

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7810162
• LogD (pH = 7.4): 0.1704715
• Log P: 2.8171804
• Molar Refractivity: 73.8859 cm^3
• Polarizability: 29.294325 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