1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine

C17H22N4O — CID 74247413

IUPAC1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine
SMILESc1cc(N2CCCCC2)ccc1-c1n[nH]c(C2CCOC2)n1
InChIInChI=1S/C17H22N4O/c1-2-9-21(10-3-1)15-6-4-13(5-7-15)16-18-17(20-19-16)14-8-11-22-12-14/h4-7,14H,1-3,8-12H2,(H,18,19,20)
InChIKeyWSDNJXRNOVIXQI-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.97
Rot. Bonds3

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

1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine (PubChem CID 74247413) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine.

Molecular Properties

Compound Name1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine
PubChem CID74247413
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine
SMILESc1cc(N2CCCCC2)ccc1-c1n[nH]c(C2CCOC2)n1
InChIInChI=1S/C17H22N4O/c1-2-9-21(10-3-1)15-6-4-13(5-7-15)16-18-17(20-19-16)14-8-11-22-12-14/h4-7,14H,1-3,8-12H2,(H,18,19,20)
InChIKeyWSDNJXRNOVIXQI-UHFFFAOYSA-N
XLogP2.97
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine?
The IUPAC name of 1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine (CID 74247413) is 1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine.
What is the SMILES notation for 1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine?
The canonical SMILES for 1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine is c1cc(N2CCCCC2)ccc1-c1n[nH]c(C2CCOC2)n1.
What is the InChIKey of 1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine?
The InChIKey is WSDNJXRNOVIXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-9-21(10-3-1)15-6-4-13(5-7-15)16-18-17(20-19-16)14-8-11-22-12-14/h4-7,14H,1-3,8-12H2,(H,18,19,20).
What are the key properties of 1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine?
1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine has a molecular weight of 298.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]phenyl]piperidine is sourced from PubChem (CID 74247413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).