N-methylpiperidin-4-amine dihydrochloride

• ChemBase ID: 241699
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: N1CCC(NC)CC1.Cl.Cl
• Canonical SMILES: CNC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-7-6-2-4-8-5-3-6;;/h6-8H,2-5H2,1H3;2*1H
• InChIKey: SQWLHHCASOERQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: N-methylpiperidin-4-amine dihydrochloride
• Synonyms: N-methylpiperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD04039797
• PubChem SID: 164297609
• PubChem CID: 69336331

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.4078984
• LogD (pH = 7.4): -4.4327164
• Log P: -0.5491203
• Molar Refractivity: 34.8498 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.906

Product Information

• Purity: 95%