3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 275682
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: N1(CC(C(CC1)N)C)Cc1ncccc1
• Canonical SMILES: NC1CCN(CC1C)Cc1ccccn1
• InChI: InChI=1S/C12H19N3/c1-10-8-15(7-5-12(10)13)9-11-4-2-3-6-14-11/h2-4,6,10,12H,5,7-9,13H2,1H3
• InChIKey: NAEAIOLWLQLRLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
• Synonyms: 3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD14693071
• PubChem SID: 164331592
• PubChem CID: 54593812

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.9886174
• LogD (pH = 7.4): -2.3850033
• Log P: 0.4689434
• Molar Refractivity: 61.7198 cm^3
• Polarizability: 24.663975 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.204

Product Information

• Purity: 95%