N-methyl-1-[2-(pyridin-2-yl)ethyl]piperidin-4-amine

• ChemBase ID: 266672
• Molecular Formular: C13H21N3
• Molecular Mass: 219.32594
• Monoisotopic Mass: 219.17354769
• SMILES: N1(CCc2ncccc2)CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)CCc1ccccn1
• InChI: InChI=1S/C13H21N3/c1-14-12-5-9-16(10-6-12)11-7-13-4-2-3-8-15-13/h2-4,8,12,14H,5-7,9-11H2,1H3
• InChIKey: LCWBSUNNCBUPQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-[2-(pyridin-2-yl)ethyl]piperidin-4-amine
• IUPAC Traditional name: N-methyl-1-[2-(pyridin-2-yl)ethyl]piperidin-4-amine
• Synonyms: N-methyl-1-[2-(pyridin-2-yl)ethyl]piperidin-4-amine

Database IDs

• MDL Number: MFCD12164796
• PubChem SID: 164322582
• PubChem CID: 47002782

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2496524
• LogD (pH = 7.4): -2.4564698
• Log P: 0.65921295
• Molar Refractivity: 66.7774 cm^3
• Polarizability: 26.43338 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.03

Product Information

• Purity: 95%