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

• ChemBase ID: 254659
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCC(CC1)N)CC(C)C
• Canonical SMILES: CC(CN1CCC(CC1)N)C
• InChI: InChI=1S/C9H20N2/c1-8(2)7-11-5-3-9(10)4-6-11/h8-9H,3-7,10H2,1-2H3
• InChIKey: ZXVWFOMYPHVUGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)piperidin-4-amine
• IUPAC Traditional name: 1-(2-methylpropyl)piperidin-4-amine
• Synonyms: 1-(2-methylpropyl)piperidin-4-amine; 1-Isobutyl-piperidin-4-ylamine

Database IDs

• CAS Number: 42450-36-2
• MDL Number: MFCD03411604
• PubChem SID: 164310569
• PubChem CID: 550780

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%; 96%