2-(piperidin-1-ylmethyl)quinazolin-4-amine

• ChemBase ID: 252104
• Molecular Formular: C14H18N4
• Molecular Mass: 242.31952
• Monoisotopic Mass: 242.1531466
• SMILES: n1c(c2c(nc1CN1CCCCC1)cccc2)N
• Canonical SMILES: Nc1nc(CN2CCCCC2)nc2c1cccc2
• InChI: InChI=1S/C14H18N4/c15-14-11-6-2-3-7-12(11)16-13(17-14)10-18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10H2,(H2,15,16,17)
• InChIKey: RGUQIPYZEXPDMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-ylmethyl)quinazolin-4-amine
• IUPAC Traditional name: 2-(piperidin-1-ylmethyl)quinazolin-4-amine
• Synonyms: 2-(piperidin-1-ylmethyl)quinazolin-4-amine

Database IDs

• MDL Number: MFCD07852058
• PubChem SID: 164308014
• PubChem CID: 9118372

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1276109
• LogD (pH = 7.4): 2.3708613
• Log P: 2.474044
• Molar Refractivity: 74.0098 cm^3
• Polarizability: 29.07042 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.087

Product Information

• Purity: 95%