benzyl(methyl)(piperidin-3-ylmethyl)amine dihydrochloride

• ChemBase ID: 47942
• Molecular Formular: C14H24Cl2N2
• Molecular Mass: 291.25976
• Monoisotopic Mass: 290.13165414
• SMILES: N1CC(CN(Cc2ccccc2)C)CCC1.Cl.Cl
• Canonical SMILES: CN(Cc1ccccc1)CC1CCCNC1.Cl.Cl
• InChI: InChI=1S/C14H22N2.2ClH/c1-16(11-13-6-3-2-4-7-13)12-14-8-5-9-15-10-14;;/h2-4,6-7,14-15H,5,8-12H2,1H3;2*1H
• InChIKey: NJGOBTVYNQFYLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)(piperidin-3-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: benzyl(methyl)(piperidin-3-ylmethyl)amine dihydrochloride
• Synonyms: N-Benzyl-N-methyl3-piperidinylmethanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561502
• PubChem SID: 162052705
• PubChem CID: 56831550

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7027214
• LogD (pH = 7.4): -1.5518242
• Log P: 2.0605583
• Molar Refractivity: 69.4763 cm^3
• Polarizability: 27.447323 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