2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline

C15H20F3N3 — CID 133461386

IUPAC2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCC(C(F)(F)F)CC3)n1)CCCC2
InChIInChI=1S/C15H20F3N3/c1-10-19-13-5-3-2-4-12(13)14(20-10)21-8-6-11(7-9-21)15(16,17)18/h11H,2-9H2,1H3
InChIKeyRGKBQRYYQDJLSS-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.44
Rot. Bonds1

About 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline

2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 133461386) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
PubChem CID133461386
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCC(C(F)(F)F)CC3)n1)CCCC2
InChIInChI=1S/C15H20F3N3/c1-10-19-13-5-3-2-4-12(13)14(20-10)21-8-6-11(7-9-21)15(16,17)18/h11H,2-9H2,1H3
InChIKeyRGKBQRYYQDJLSS-UHFFFAOYSA-N
XLogP3.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline (CID 133461386) is 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline is Cc1nc2c(c(N3CCC(C(F)(F)F)CC3)n1)CCCC2.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is RGKBQRYYQDJLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-10-19-13-5-3-2-4-12(13)14(20-10)21-8-6-11(7-9-21)15(16,17)18/h11H,2-9H2,1H3.
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 299.34 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 133461386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).