4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline

C15H16F3N3 — CID 70703181

IUPAC4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline
SMILESCC1CCCN(c2nc(C(F)(F)F)nc3ccccc23)C1
InChIInChI=1S/C15H16F3N3/c1-10-5-4-8-21(9-10)13-11-6-2-3-7-12(11)19-14(20-13)15(16,17)18/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyNZJNKKLYCAFBMJ-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.88
Rot. Bonds1

About 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline

4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline (PubChem CID 70703181) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline
PubChem CID70703181
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline
SMILESCC1CCCN(c2nc(C(F)(F)F)nc3ccccc23)C1
InChIInChI=1S/C15H16F3N3/c1-10-5-4-8-21(9-10)13-11-6-2-3-7-12(11)19-14(20-13)15(16,17)18/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyNZJNKKLYCAFBMJ-UHFFFAOYSA-N
XLogP3.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline (CID 70703181) is 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline is CC1CCCN(c2nc(C(F)(F)F)nc3ccccc23)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline?
The InChIKey is NZJNKKLYCAFBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-10-5-4-8-21(9-10)13-11-6-2-3-7-12(11)19-14(20-13)15(16,17)18/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline?
4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline has a molecular weight of 295.31 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 70703181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).