1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine

C11H17F3N4 — CID 126805519

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine
SMILESCn1cnnc1CN1CCC(CC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N4/c1-17-8-15-16-10(17)7-18-4-2-9(3-5-18)6-11(12,13)14/h8-9H,2-7H2,1H3
InChIKeyCYINUGKWIMPEPS-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.98
Rot. Bonds3

About 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine (PubChem CID 126805519) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine
PubChem CID126805519
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine
SMILESCn1cnnc1CN1CCC(CC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N4/c1-17-8-15-16-10(17)7-18-4-2-9(3-5-18)6-11(12,13)14/h8-9H,2-7H2,1H3
InChIKeyCYINUGKWIMPEPS-UHFFFAOYSA-N
XLogP1.98
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine (CID 126805519) is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine is Cn1cnnc1CN1CCC(CC(F)(F)F)CC1.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is CYINUGKWIMPEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-17-8-15-16-10(17)7-18-4-2-9(3-5-18)6-11(12,13)14/h8-9H,2-7H2,1H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine?
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 262.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 126805519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).