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

• ChemBase ID: 270882
• Molecular Formular: C14H18N4
• Molecular Mass: 242.31952
• Monoisotopic Mass: 242.1531466
• SMILES: c1(c2c(ncn1)cccc2)N1CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)c1ncnc2c1cccc2
• InChI: InChI=1S/C14H18N4/c1-15-11-6-8-18(9-7-11)14-12-4-2-3-5-13(12)16-10-17-14/h2-5,10-11,15H,6-9H2,1H3
• InChIKey: RSTBYYONONGYIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13166502
• PubChem SID: 164326792
• PubChem CID: 23215516

CALCULATED PROPERTIES

• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.529294
• LogD (pH = 7.4): -0.98754907
• Log P: 1.7713221
• Molar Refractivity: 73.699 cm^3
• Polarizability: 29.072111 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.81

Product Information

• Purity: 95%