3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine

C13H22N4 — CID 61336802

IUPAC3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESC1CCC(c2nc(C3CCCNC3)n[nH]2)CC1
InChIInChI=1S/C13H22N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h10-11,14H,1-9H2,(H,15,16,17)
InChIKeyKYUHNIBEFFCDOZ-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.32
Rot. Bonds2

About 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine

3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 61336802) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID61336802
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESC1CCC(c2nc(C3CCCNC3)n[nH]2)CC1
InChIInChI=1S/C13H22N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h10-11,14H,1-9H2,(H,15,16,17)
InChIKeyKYUHNIBEFFCDOZ-UHFFFAOYSA-N
XLogP2.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine (CID 61336802) is 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine is C1CCC(c2nc(C3CCCNC3)n[nH]2)CC1.
What is the InChIKey of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is KYUHNIBEFFCDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h10-11,14H,1-9H2,(H,15,16,17).
What are the key properties of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine?
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 234.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 61336802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).