N-methyl-N-(propan-2-yl)piperidin-4-amine dihydrochloride

• ChemBase ID: 261934
• Molecular Formular: C9H22Cl2N2
• Molecular Mass: 229.19038
• Monoisotopic Mass: 228.11600407
• SMILES: N(C1CCNCC1)(C(C)C)C.Cl.Cl
• Canonical SMILES: CC(N(C1CCNCC1)C)C.Cl.Cl
• InChI: InChI=1S/C9H20N2.2ClH/c1-8(2)11(3)9-4-6-10-7-5-9;;/h8-10H,4-7H2,1-3H3;2*1H
• InChIKey: UGWOIBGTHZPSDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(propan-2-yl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: N-isopropyl-N-methylpiperidin-4-amine dihydrochloride
• Synonyms: N-methyl-N-(propan-2-yl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD12913030
• PubChem SID: 164317844
• PubChem CID: 45791934

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.260525
• LogD (pH = 7.4): -3.204916
• Log P: 0.60731065
• Molar Refractivity: 49.3119 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.468

Product Information

• Purity: 95%