N-methyl-1-(pyridin-4-yl)piperidin-4-amine

• ChemBase ID: 262547
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: N1(c2ccncc2)CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C11H17N3/c1-12-10-4-8-14(9-5-10)11-2-6-13-7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3
• InChIKey: TVWJOMGXJWDIQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11214909
• PubChem SID: 164318457
• PubChem CID: 17852018

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.706624
• LogD (pH = 7.4): -3.0912504
• Log P: 0.5073754
• Molar Refractivity: 58.4861 cm^3
• Polarizability: 22.419361 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67 - 69°C
• Hydrophobicity(logP): 0.191

Product Information

• Purity: 95%