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

• ChemBase ID: 274116
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: N1(c2ncncc2)CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)c1ccncn1
• InChI: InChI=1S/C10H16N4/c1-11-9-3-6-14(7-4-9)10-2-5-12-8-13-10/h2,5,8-9,11H,3-4,6-7H2,1H3
• InChIKey: QZKFDXHRJQZLEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14605443
• PubChem SID: 164330026
• PubChem CID: 52041670

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.027989
• LogD (pH = 7.4): -2.3650317
• Log P: 0.39599502
• Molar Refractivity: 57.6208 cm^3
• Polarizability: 21.518763 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%