N,N-dimethylpiperidin-4-amine hydrochloride

• ChemBase ID: 15760
• Molecular Formular: C7H17ClN2
• Molecular Mass: 164.67628
• Monoisotopic Mass: 164.10802623
• SMILES: N1CCC(N(C)C)CC1.Cl
• Canonical SMILES: CN(C1CCNCC1)C.Cl
• InChI: InChI=1S/C7H16N2.ClH/c1-9(2)7-3-5-8-6-4-7;/h7-8H,3-6H2,1-2H3;1H
• InChIKey: IDCJGSDAPFXTGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpiperidin-4-amine hydrochloride
• IUPAC Traditional name: N,N-dimethylpiperidin-4-amine hydrochloride
• Synonyms: N,N-Dimethylpiperidin-4-amine hydrochloride

Database IDs

• CAS Number: 50533-97-6
• MDL Number: MFCD03938881
• PubChem SID: 160979067
• PubChem CID: 22349190

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.937747
• LogD (pH = 7.4): -3.7375448
• Log P: -0.16607234
• Molar Refractivity: 40.1445 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false