1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine

C15H20N4O — CID 52813193

IUPAC1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine
SMILESc1ccc(OCCN2CCC(n3cncn3)CC2)cc1
InChIInChI=1S/C15H20N4O/c1-2-4-15(5-3-1)20-11-10-18-8-6-14(7-9-18)19-13-16-12-17-19/h1-5,12-14H,6-11H2
InChIKeyUVEYNWVEJMJRFR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.99
Rot. Bonds5

About 1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine

1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine (PubChem CID 52813193) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine
PubChem CID52813193
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine
SMILESc1ccc(OCCN2CCC(n3cncn3)CC2)cc1
InChIInChI=1S/C15H20N4O/c1-2-4-15(5-3-1)20-11-10-18-8-6-14(7-9-18)19-13-16-12-17-19/h1-5,12-14H,6-11H2
InChIKeyUVEYNWVEJMJRFR-UHFFFAOYSA-N
XLogP1.99
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine?
The IUPAC name of 1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine (CID 52813193) is 1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine.
What is the SMILES notation for 1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine?
The canonical SMILES for 1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine is c1ccc(OCCN2CCC(n3cncn3)CC2)cc1.
What is the InChIKey of 1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine?
The InChIKey is UVEYNWVEJMJRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-4-15(5-3-1)20-11-10-18-8-6-14(7-9-18)19-13-16-12-17-19/h1-5,12-14H,6-11H2.
What are the key properties of 1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine?
1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine has a molecular weight of 272.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-4-(1,2,4-triazol-1-yl)piperidine is sourced from PubChem (CID 52813193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).