methyl[(piperidin-4-yl)methyl]amine

• ChemBase ID: 811167
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N(CC1CCNCC1)C
• Canonical SMILES: CNCC1CCNCC1
• InChI: InChI=1S/C7H16N2/c1-8-6-7-2-4-9-5-3-7/h7-9H,2-6H2,1H3
• InChIKey: RNUCZCMDLWNCFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(piperidin-4-yl)methyl]amine
• IUPAC Traditional name: methyl(piperidin-4-ylmethyl)amine
• Synonyms: METHYL-PIPERIDIN-4-YLMETHYL-AMINE

Database IDs

• CAS Number: 126579-26-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.5562267
• LogD (pH = 7.4): -5.7984295
• Log P: -0.088519536
• Molar Refractivity: 39.6678 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%