dimethyl[(1-methylpiperidin-4-yl)methyl]amine dihydrochloride

• ChemBase ID: 78523
• Molecular Formular: C9H22Cl2N2
• Molecular Mass: 229.19038
• Monoisotopic Mass: 228.11600407
• SMILES: N1(C)CCC(CC1)CN(C)C.Cl.Cl
• Canonical SMILES: CN(CC1CCN(CC1)C)C.Cl.Cl
• InChI: InChI=1S/C9H20N2.2ClH/c1-10(2)8-9-4-6-11(3)7-5-9;;/h9H,4-8H2,1-3H3;2*1H
• InChIKey: HSZWSMIHJLDIIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(1-methylpiperidin-4-yl)methyl]amine dihydrochloride
• IUPAC Traditional name: dimethyl[(1-methylpiperidin-4-yl)methyl]amine dihydrochloride
• Synonyms: 4-[(Dimethylamino)methyl]-1-methylpiperidine dihydrochloride

Database IDs

• MDL Number: MFCD09998358
• PubChem SID: 162043288
• PubChem CID: 44118642

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -6.0694165
• LogD (pH = 7.4): -3.6601388
• Log P: 0.67757636
• Molar Refractivity: 50.2572 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant