4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine

C15H26N4 — CID 55177966

IUPAC4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
SMILESCCC1(c2nc(C3CCCC3)nn2C)CCNCC1
InChIInChI=1S/C15H26N4/c1-3-15(8-10-16-11-9-15)14-17-13(18-19(14)2)12-6-4-5-7-12/h12,16H,3-11H2,1-2H3
InChIKeyCGUJWBBGJUTKTN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds3

About 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine

4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine (PubChem CID 55177966) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine.

Molecular Properties

Compound Name4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
PubChem CID55177966
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
SMILESCCC1(c2nc(C3CCCC3)nn2C)CCNCC1
InChIInChI=1S/C15H26N4/c1-3-15(8-10-16-11-9-15)14-17-13(18-19(14)2)12-6-4-5-7-12/h12,16H,3-11H2,1-2H3
InChIKeyCGUJWBBGJUTKTN-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine?
The IUPAC name of 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine (CID 55177966) is 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine.
What is the SMILES notation for 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine?
The canonical SMILES for 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine is CCC1(c2nc(C3CCCC3)nn2C)CCNCC1.
What is the InChIKey of 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine?
The InChIKey is CGUJWBBGJUTKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-15(8-10-16-11-9-15)14-17-13(18-19(14)2)12-6-4-5-7-12/h12,16H,3-11H2,1-2H3.
What are the key properties of 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine?
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine is sourced from PubChem (CID 55177966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).