1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine

C16H26N4 — CID 121497083

IUPAC1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine
SMILESCn1nc(/C=C/C2CCCCC2)nc1N1CCCCC1
InChIInChI=1S/C16H26N4/c1-19-16(20-12-6-3-7-13-20)17-15(18-19)11-10-14-8-4-2-5-9-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+
InChIKeyZDDSCECBLHVMSI-ZHACJKMWSA-N
MW274.41 g/mol
LogP3.40
Rot. Bonds3

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

1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine (PubChem CID 121497083) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine
PubChem CID121497083
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine
SMILESCn1nc(/C=C/C2CCCCC2)nc1N1CCCCC1
InChIInChI=1S/C16H26N4/c1-19-16(20-12-6-3-7-13-20)17-15(18-19)11-10-14-8-4-2-5-9-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+
InChIKeyZDDSCECBLHVMSI-ZHACJKMWSA-N
XLogP3.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-cyclohex-3-en-1-yl]-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
CID 129615629
(6R)-2-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-azaspiro[5.5]undec-9-ene
CID 164629944
3-[(E)-2-(4-fluorocyclohexyl)ethenyl]-4,5-dimethyl-1,2,4-triazole
CID 142140858
2-ethenyl-8-[(2E,4Z)-3-(trifluoromethyl)hepta-2,4-dien-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 144371490
4-{3-[(E)-2-cyclohexylvinyl]-1-methyl-1H-1,2,4-triazol-5-yl}morpholine
CID 72839070
3-heptan-4-yl-4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,2,4-triazole
CID 130374412
6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline
CID 142140840
1-methyl-4-[1-[5-methyl-2-[(Z)-1-(5-methylcyclohexa-1,3-dien-1-yl)prop-1-enyl]-1,2,4-triazol-3-yl]ethenyl]piperazine
CID 144250631
1-{[(4S)-4-isopropenylcyclohex-1-en-1-yl]methyl}-4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 70779302
1-[(2,6-Dimethylcyclohex-2-en-1-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 91662171
4-[5-(2-Cyclohexylethenyl)-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 91939957
1-[[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 99858004

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine (CID 121497083) is 1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine is Cn1nc(/C=C/C2CCCCC2)nc1N1CCCCC1.
What is the InChIKey of 1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine?
The InChIKey is ZDDSCECBLHVMSI-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H26N4/c1-19-16(20-12-6-3-7-13-20)17-15(18-19)11-10-14-8-4-2-5-9-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+.
What are the key properties of 1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine?
1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine has a molecular weight of 274.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-cyclohexylethenyl]-2-methyl-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 121497083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).