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

• ChemBase ID: 253537
• Molecular Formular: C9H21ClN2
• Molecular Mass: 192.72944
• Monoisotopic Mass: 192.13932636
• SMILES: N1(CCC(CC1)N)CC(C)C.Cl
• Canonical SMILES: CC(CN1CCC(CC1)N)C.Cl
• InChI: InChI=1S/C9H20N2.ClH/c1-8(2)7-11-5-3-9(10)4-6-11;/h8-9H,3-7,10H2,1-2H3;1H
• InChIKey: MELWCTFAQYLICW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1177306-12-5
• MDL Number: MFCD09054662
• PubChem SID: 164309447
• PubChem CID: 17564133

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

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 0.851

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl