3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine

C13H19F2N7O — CID 138011674

IUPAC3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCn1c(-c2ncn(C)n2)nnc1N1CCCC(F)(F)C1
InChIInChI=1S/C13H19F2N7O/c1-20-9-16-10(19-20)11-17-18-12(22(11)6-7-23-2)21-5-3-4-13(14,15)8-21/h9H,3-8H2,1-2H3
InChIKeyGAZVKTBRVJHQGW-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.96
Rot. Bonds5

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

3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 138011674) has the molecular formula C13H19F2N7O and a molecular weight of 327.34 g/mol. Its IUPAC name is 3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine
PubChem CID138011674
Molecular FormulaC13H19F2N7O
Molecular Weight327.34 g/mol
Exact Mass327.16
IUPAC Name3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCn1c(-c2ncn(C)n2)nnc1N1CCCC(F)(F)C1
InChIInChI=1S/C13H19F2N7O/c1-20-9-16-10(19-20)11-17-18-12(22(11)6-7-23-2)21-5-3-4-13(14,15)8-21/h9H,3-8H2,1-2H3
InChIKeyGAZVKTBRVJHQGW-UHFFFAOYSA-N
XLogP0.96
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621331
4-(2-Methylpropyl)-3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-triazole
CID 72129865
3-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 72932992
4-(2-methylpropyl)-3-[(2S)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-triazole
CID 95773988
4-(2-methylpropyl)-3-[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-triazole
CID 95773989
(2R,6R)-4-[[(2R)-1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 100698372
(2R,6R)-4-[[(2S)-1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 100698383
4-[[1-[[2-(2,2-Difluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 119036171
(2R,6S)-4-[[(2R)-1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 124860694
(2R,6S)-4-[[(2S)-1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 124860695
4-[(2R)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621332
4-[4-[2-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 131936996

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine (CID 138011674) is 3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine is COCCn1c(-c2ncn(C)n2)nnc1N1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is GAZVKTBRVJHQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N7O/c1-20-9-16-10(19-20)11-17-18-12(22(11)6-7-23-2)21-5-3-4-13(14,15)8-21/h9H,3-8H2,1-2H3.
What are the key properties of 3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine?
3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 327.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 138011674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).