3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine

C15H26N4 — CID 63136121

IUPAC3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine
SMILESCCC1(c2nncn2C2CCCCC2)CCCNC1
InChIInChI=1S/C15H26N4/c1-2-15(9-6-10-16-11-15)14-18-17-12-19(14)13-7-4-3-5-8-13/h12-13,16H,2-11H2,1H3
InChIKeyHSOPGUFWNPBCHI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.81
Rot. Bonds3

About 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine

3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine (PubChem CID 63136121) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine.

Molecular Properties

Compound Name3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine
PubChem CID63136121
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine
SMILESCCC1(c2nncn2C2CCCCC2)CCCNC1
InChIInChI=1S/C15H26N4/c1-2-15(9-6-10-16-11-15)14-18-17-12-19(14)13-7-4-3-5-8-13/h12-13,16H,2-11H2,1H3
InChIKeyHSOPGUFWNPBCHI-UHFFFAOYSA-N
XLogP2.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine?
The IUPAC name of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine (CID 63136121) is 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine.
What is the SMILES notation for 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine?
The canonical SMILES for 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine is CCC1(c2nncn2C2CCCCC2)CCCNC1.
What is the InChIKey of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine?
The InChIKey is HSOPGUFWNPBCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-15(9-6-10-16-11-15)14-18-17-12-19(14)13-7-4-3-5-8-13/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine?
3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine has a molecular weight of 262.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine is sourced from PubChem (CID 63136121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).