1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine

C14H21F3N4O — CID 154799175

IUPAC1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine
SMILESCn1c(CC(F)(F)F)nnc1N1CCCC(C2CCOC2)C1
InChIInChI=1S/C14H21F3N4O/c1-20-12(7-14(15,16)17)18-19-13(20)21-5-2-3-10(8-21)11-4-6-22-9-11/h10-11H,2-9H2,1H3
InChIKeyHFQKXIRHRMCPIT-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.17
Rot. Bonds3

About 1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine

1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine (PubChem CID 154799175) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine.

Molecular Properties

Compound Name1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine
PubChem CID154799175
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine
SMILESCn1c(CC(F)(F)F)nnc1N1CCCC(C2CCOC2)C1
InChIInChI=1S/C14H21F3N4O/c1-20-12(7-14(15,16)17)18-19-13(20)21-5-2-3-10(8-21)11-4-6-22-9-11/h10-11H,2-9H2,1H3
InChIKeyHFQKXIRHRMCPIT-UHFFFAOYSA-N
XLogP2.17
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine?
The IUPAC name of 1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine (CID 154799175) is 1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine.
What is the SMILES notation for 1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine?
The canonical SMILES for 1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine is Cn1c(CC(F)(F)F)nnc1N1CCCC(C2CCOC2)C1.
What is the InChIKey of 1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine?
The InChIKey is HFQKXIRHRMCPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-20-12(7-14(15,16)17)18-19-13(20)21-5-2-3-10(8-21)11-4-6-22-9-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine?
1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine has a molecular weight of 318.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)piperidine is sourced from PubChem (CID 154799175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).