4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine

C15H24N4 — CID 82484819

IUPAC4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine
SMILESC1=C(CCn2cnnc2C2CCNCC2)CCCC1
InChIInChI=1S/C15H24N4/c1-2-4-13(5-3-1)8-11-19-12-17-18-15(19)14-6-9-16-10-7-14/h4,12,14,16H,1-3,5-11H2
InChIKeyRADDHGPQWDMLBH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.64
Rot. Bonds4

About 4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine

4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine (PubChem CID 82484819) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine
PubChem CID82484819
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine
SMILESC1=C(CCn2cnnc2C2CCNCC2)CCCC1
InChIInChI=1S/C15H24N4/c1-2-4-13(5-3-1)8-11-19-12-17-18-15(19)14-6-9-16-10-7-14/h4,12,14,16H,1-3,5-11H2
InChIKeyRADDHGPQWDMLBH-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 119052584
6-Piperidin-4-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123340745
4-[3-(1-Methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine
CID 135259110
3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane
CID 143782084
(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine
CID 143782091
4-[4-(1-Methyl-1,2,4-triazol-3-yl)but-1-en-2-yl]piperidine
CID 146412189
4-[1-(2-Methyl-3-methylidenecyclopenten-1-yl)-1,2,4-triazol-3-yl]piperidine
CID 156036371
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 51083394
2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 60975361
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329075
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332408

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine (CID 82484819) is 4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine is C1=C(CCn2cnnc2C2CCNCC2)CCCC1.
What is the InChIKey of 4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine?
The InChIKey is RADDHGPQWDMLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-4-13(5-3-1)8-11-19-12-17-18-15(19)14-6-9-16-10-7-14/h4,12,14,16H,1-3,5-11H2.
What are the key properties of 4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine?
4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine has a molecular weight of 260.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 82484819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).