1-(2-methylpropyl)piperidin-4-amine dihydrochloride

• ChemBase ID: 263890
• Molecular Formular: C9H22Cl2N2
• Molecular Mass: 229.19038
• Monoisotopic Mass: 228.11600407
• SMILES: N1(CCC(CC1)N)CC(C)C.Cl.Cl
• Canonical SMILES: CC(CN1CCC(CC1)N)C.Cl.Cl
• InChI: InChI=1S/C9H20N2.2ClH/c1-8(2)7-11-5-3-9(10)4-6-11;;/h8-9H,3-7,10H2,1-2H3;2*1H
• InChIKey: LZCWIXJIPYUXLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(2-methylpropyl)piperidin-4-amine dihydrochloride
• Synonyms: 1-(2-methylpropyl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD09743404
• PubChem SID: 164319800
• PubChem CID: 44784905

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.0533257
• LogD (pH = 7.4): -3.0454373
• Log P: 0.64565045
• Molar Refractivity: 49.1141 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.851

Product Information

• Purity: 95%