6-methyl-N-(piperidin-2-ylmethyl)pyridin-2-amine

• ChemBase ID: 274736
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: n1c(NCC2NCCCC2)cccc1C
• Canonical SMILES: Cc1cccc(n1)NCC1CCCCN1
• InChI: InChI=1S/C12H19N3/c1-10-5-4-7-12(15-10)14-9-11-6-2-3-8-13-11/h4-5,7,11,13H,2-3,6,8-9H2,1H3,(H,14,15)
• InChIKey: JXCPUNPITQXVFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
• IUPAC Traditional name: 6-methyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
• Synonyms: 6-methyl-N-(piperidin-2-ylmethyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD16108897
• PubChem SID: 164330646
• PubChem CID: 54593345

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0543852
• LogD (pH = 7.4): -0.6701324
• Log P: 1.499909
• Molar Refractivity: 63.5365 cm^3
• Polarizability: 24.191265 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61 - 63°C
• Hydrophobicity(logP): 2.49

Product Information

• Purity: 95%