4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine

C13H22N4O — CID 63876692

IUPAC4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine
SMILESC1CCC(c2n[nH]c(COC3CCNCC3)n2)C1
InChIInChI=1S/C13H22N4O/c1-2-4-10(3-1)13-15-12(16-17-13)9-18-11-5-7-14-8-6-11/h10-11,14H,1-9H2,(H,15,16,17)
InChIKeyCACXXPYPHMEQIQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.73
Rot. Bonds4

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

4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine (PubChem CID 63876692) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine
PubChem CID63876692
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine
SMILESC1CCC(c2n[nH]c(COC3CCNCC3)n2)C1
InChIInChI=1S/C13H22N4O/c1-2-4-10(3-1)13-15-12(16-17-13)9-18-11-5-7-14-8-6-11/h10-11,14H,1-9H2,(H,15,16,17)
InChIKeyCACXXPYPHMEQIQ-UHFFFAOYSA-N
XLogP1.73
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine?
The IUPAC name of 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine (CID 63876692) is 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine.
What is the SMILES notation for 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine?
The canonical SMILES for 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine is C1CCC(c2n[nH]c(COC3CCNCC3)n2)C1.
What is the InChIKey of 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine?
The InChIKey is CACXXPYPHMEQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-4-10(3-1)13-15-12(16-17-13)9-18-11-5-7-14-8-6-11/h10-11,14H,1-9H2,(H,15,16,17).
What are the key properties of 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine?
4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine has a molecular weight of 250.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methoxy]piperidine is sourced from PubChem (CID 63876692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).