dimethyl(piperidin-4-ylmethyl)amine dihydrochloride

• ChemBase ID: 47950
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: N1CCC(CN(C)C)CC1.Cl.Cl
• Canonical SMILES: CN(CC1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-10(2)7-8-3-5-9-6-4-8;;/h8-9H,3-7H2,1-2H3;2*1H
• InChIKey: NGEUUXMQPFMKRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(piperidin-4-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: dimethyl(piperidin-4-ylmethyl)amine dihydrochloride
• Synonyms: N,N-Dimethyl(4-piperidinyl)methanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561510
• PubChem SID: 162052713
• PubChem CID: 23153381

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.3934927
• LogD (pH = 7.4): -4.9986296
• Log P: 0.2945284
• Molar Refractivity: 44.9625 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false