4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline

C20H18F3N3 — CID 25129008

IUPAC4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline
SMILESFC(F)(F)c1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H18F3N3/c21-20(22,23)15-10-8-14(9-11-15)18-24-17-7-3-2-6-16(17)19(25-18)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-13H2
InChIKeyUXWRXNKOYJBUPX-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.31
Rot. Bonds2

About 4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline

4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline (PubChem CID 25129008) has the molecular formula C20H18F3N3 and a molecular weight of 357.38 g/mol. Its IUPAC name is 4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline.

Molecular Properties

Compound Name4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline
PubChem CID25129008
Molecular FormulaC20H18F3N3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline
SMILESFC(F)(F)c1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H18F3N3/c21-20(22,23)15-10-8-14(9-11-15)18-24-17-7-3-2-6-16(17)19(25-18)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-13H2
InChIKeyUXWRXNKOYJBUPX-UHFFFAOYSA-N
XLogP5.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline?
The IUPAC name of 4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline (CID 25129008) is 4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline.
What is the SMILES notation for 4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline?
The canonical SMILES for 4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline is FC(F)(F)c1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline?
The InChIKey is UXWRXNKOYJBUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3/c21-20(22,23)15-10-8-14(9-11-15)18-24-17-7-3-2-6-16(17)19(25-18)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-13H2.
What are the key properties of 4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline?
4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline has a molecular weight of 357.38 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline is sourced from PubChem (CID 25129008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).