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

C15H26N4O — CID 63876862

IUPAC4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
SMILESC1CCC(c2n[nH]c(CCOC3CCNCC3)n2)CC1
InChIInChI=1S/C15H26N4O/c1-2-4-12(5-3-1)15-17-14(18-19-15)8-11-20-13-6-9-16-10-7-13/h12-13,16H,1-11H2,(H,17,18,19)
InChIKeyXDNQYKQCGUOIQV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.16
Rot. Bonds5

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

4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine (PubChem CID 63876862) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
PubChem CID63876862
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
SMILESC1CCC(c2n[nH]c(CCOC3CCNCC3)n2)CC1
InChIInChI=1S/C15H26N4O/c1-2-4-12(5-3-1)15-17-14(18-19-15)8-11-20-13-6-9-16-10-7-13/h12-13,16H,1-11H2,(H,17,18,19)
InChIKeyXDNQYKQCGUOIQV-UHFFFAOYSA-N
XLogP2.16
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine?
The IUPAC name of 4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine (CID 63876862) is 4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine?
The canonical SMILES for 4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine is C1CCC(c2n[nH]c(CCOC3CCNCC3)n2)CC1.
What is the InChIKey of 4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine?
The InChIKey is XDNQYKQCGUOIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-4-12(5-3-1)15-17-14(18-19-15)8-11-20-13-6-9-16-10-7-13/h12-13,16H,1-11H2,(H,17,18,19).
What are the key properties of 4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine?
4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine has a molecular weight of 278.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine is sourced from PubChem (CID 63876862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).