N-methyl-1-(pyrimidin-2-yl)piperidin-4-amine

• ChemBase ID: 274092
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: c1(N2CCC(CC2)NC)ncccn1
• Canonical SMILES: CNC1CCN(CC1)c1ncccn1
• InChI: InChI=1S/C10H16N4/c1-11-9-3-7-14(8-4-9)10-12-5-2-6-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3
• InChIKey: ADDSZQPMRRWLAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(pyrimidin-2-yl)piperidin-4-amine
• IUPAC Traditional name: N-methyl-1-(pyrimidin-2-yl)piperidin-4-amine
• Synonyms: N-methyl-1-(pyrimidin-2-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD06808661
• PubChem SID: 164330002
• PubChem CID: 23130836

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7528708
• LogD (pH = 7.4): -2.277573
• Log P: 0.48032352
• Molar Refractivity: 57.2533 cm^3
• Polarizability: 21.523125 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.574

Product Information

• Purity: 95%