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

• ChemBase ID: 35843
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: N1(CCC(NCc2ncccc2)CC1)C
• Canonical SMILES: CN1CCC(CC1)NCc1ccccn1
• InChI: InChI=1S/C12H19N3/c1-15-8-5-11(6-9-15)14-10-12-4-2-3-7-13-12/h2-4,7,11,14H,5-6,8-10H2,1H3
• InChIKey: SCFPQNGHMLSYHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06810231
• PubChem SID: 160999150
• PubChem CID: 20787378

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.042333
• LogD (pH = 7.4): -1.5955068
• Log P: 0.42220023
• Molar Refractivity: 62.078 cm^3
• Polarizability: 24.664 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false