methyl(piperidin-4-ylmethyl)(propan-2-yl)amine

• ChemBase ID: 261143
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N(CC1CCNCC1)(C(C)C)C
• Canonical SMILES: CC(N(CC1CCNCC1)C)C
• InChI: InChI=1S/C10H22N2/c1-9(2)12(3)8-10-4-6-11-7-5-10/h9-11H,4-8H2,1-3H3
• InChIKey: SLHDSIBGFJHPKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(piperidin-4-ylmethyl)(propan-2-yl)amine
• IUPAC Traditional name: isopropyl(methyl)(piperidin-4-ylmethyl)amine
• Synonyms: methyl(piperidin-4-ylmethyl)propan-2-ylamine

Database IDs

• MDL Number: MFCD09041262
• PubChem SID: 164317053
• PubChem CID: 16767853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.651977
• LogD (pH = 7.4): -4.679743
• Log P: 1.0679114
• Molar Refractivity: 54.1299 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

• Melting Point: 145 - 148°C
• Hydrophobicity(logP): 1.087

Product Information

• Purity: 95%