methyl({[4-(piperidin-1-ylmethyl)phenyl]methyl})amine dihydrochloride

• ChemBase ID: 55555
• Molecular Formular: C14H24Cl2N2
• Molecular Mass: 291.25976
• Monoisotopic Mass: 290.13165414
• SMILES: N1(Cc2ccc(cc2)CNC)CCCCC1.Cl.Cl
• Canonical SMILES: CNCc1ccc(cc1)CN1CCCCC1.Cl.Cl
• InChI: InChI=1S/C14H22N2.2ClH/c1-15-11-13-5-7-14(8-6-13)12-16-9-3-2-4-10-16;;/h5-8,15H,2-4,9-12H2,1H3;2*1H
• InChIKey: VEBSTHXHQLTMJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[4-(piperidin-1-ylmethyl)phenyl]methyl})amine dihydrochloride
• IUPAC Traditional name: methyl({[4-(piperidin-1-ylmethyl)phenyl]methyl})amine dihydrochloride
• Synonyms: N-methyl-N-[4-(piperidin-1-ylmethyl)benzyl]amine dihydrochloride; N-Methyl-1-[4-(piperidin-1-ylmethyl)phenyl]-methanamine dihydrochloride

Database IDs

• CAS Number: 859833-23-1
• MDL Number: MFCD07772864
• PubChem SID: 162060318
• PubChem CID: 18525780

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.148492
• LogD (pH = 7.4): -1.6777014
• Log P: 2.3233576
• Molar Refractivity: 69.9907 cm^3
• Polarizability: 27.442162 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

Product Information

• Purity: Tech