dimethyl(piperidin-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 18887
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: N1C(CN(C)C)CCCC1.Cl.Cl
• Canonical SMILES: CN(CC1CCCCN1)C.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-10(2)7-8-5-3-4-6-9-8;;/h8-9H,3-7H2,1-2H3;2*1H
• InChIKey: WQJNIXIPXVOURU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(piperidin-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: dimethyl(piperidin-2-ylmethyl)amine dihydrochloride
• Synonyms: Dimethyl-piperidin-2-ylmethyl-amine dihydrochloride

Database IDs

• CAS Number: 1185304-33-9
• MDL Number: MFCD09879171
• PubChem SID: 160982194
• PubChem CID: 45075192

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7607002
• LogD (pH = 7.4): -1.8838081
• Log P: 0.73589927
• Molar Refractivity: 44.5247 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