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

• ChemBase ID: 262718
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CCC(NCC(C)C)CC1)C
• Canonical SMILES: CC(CNC1CCN(CC1)C)C
• InChI: InChI=1S/C10H22N2/c1-9(2)8-11-10-4-6-12(3)7-5-10/h9-11H,4-8H2,1-3H3
• InChIKey: MIZPAEATLRNIMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11139654
• PubChem SID: 164318628
• PubChem CID: 28428065

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.103549
• LogD (pH = 7.4): -2.3208208
• Log P: 1.0782309
• Molar Refractivity: 53.8887 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.827

Product Information

• Purity: 95%