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

C15H26N4 — CID 55107449

IUPAC3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESc1nnc(CCC2CCCNC2)n1C1CCCCC1
InChIInChI=1S/C15H26N4/c1-2-6-14(7-3-1)19-12-17-18-15(19)9-8-13-5-4-10-16-11-13/h12-14,16H,1-11H2
InChIKeyWZAGWBWACIMVAS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.72
Rot. Bonds4

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

3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine (PubChem CID 55107449) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine
PubChem CID55107449
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESc1nnc(CCC2CCCNC2)n1C1CCCCC1
InChIInChI=1S/C15H26N4/c1-2-6-14(7-3-1)19-12-17-18-15(19)9-8-13-5-4-10-16-11-13/h12-14,16H,1-11H2
InChIKeyWZAGWBWACIMVAS-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The IUPAC name of 3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine (CID 55107449) is 3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The canonical SMILES for 3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine is c1nnc(CCC2CCCNC2)n1C1CCCCC1.
What is the InChIKey of 3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The InChIKey is WZAGWBWACIMVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-6-14(7-3-1)19-12-17-18-15(19)9-8-13-5-4-10-16-11-13/h12-14,16H,1-11H2.
What are the key properties of 3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine?
3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine has a molecular weight of 262.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclohexyl-1,2,4-triazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 55107449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).