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

• ChemBase ID: 48197
• Molecular Formular: C14H24Cl2N2
• Molecular Mass: 291.25976
• Monoisotopic Mass: 290.13165414
• SMILES: N1C(CN(Cc2ccccc2)C)CCCC1.Cl.Cl
• Canonical SMILES: CN(Cc1ccccc1)CC1CCCCN1.Cl.Cl
• InChI: InChI=1S/C14H22N2.2ClH/c1-16(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15-14;;/h2-4,7-8,14-15H,5-6,9-12H2,1H3;2*1H
• InChIKey: MRVOXYPVNJFCSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)(piperidin-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: benzyl(methyl)(piperidin-2-ylmethyl)amine dihydrochloride
• Synonyms: N-Methyl(phenyl)-N-(2-piperidinylmethyl)-methanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561737
• PubChem SID: 162052960
• PubChem CID: 53410877

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8870143
• LogD (pH = 7.4): -0.12598142
• Log P: 2.4603724
• Molar Refractivity: 69.1373 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