4-(3-phenyl-1,2,4-triazol-4-yl)piperidine

C13H16N4 — CID 13375843

IUPAC4-(3-phenyl-1,2,4-triazol-4-yl)piperidine
SMILESc1ccc(-c2nncn2C2CCNCC2)cc1
InChIInChI=1S/C13H16N4/c1-2-4-11(5-3-1)13-16-15-10-17(13)12-6-8-14-9-7-12/h1-5,10,12,14H,6-9H2
InChIKeySRQWWKWYELILSI-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.87
Rot. Bonds2

About 4-(3-phenyl-1,2,4-triazol-4-yl)piperidine

4-(3-phenyl-1,2,4-triazol-4-yl)piperidine (PubChem CID 13375843) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-triazol-4-yl)piperidine
PubChem CID13375843
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(3-phenyl-1,2,4-triazol-4-yl)piperidine
SMILESc1ccc(-c2nncn2C2CCNCC2)cc1
InChIInChI=1S/C13H16N4/c1-2-4-11(5-3-1)13-16-15-10-17(13)12-6-8-14-9-7-12/h1-5,10,12,14H,6-9H2
InChIKeySRQWWKWYELILSI-UHFFFAOYSA-N
XLogP1.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 4-(3-phenyl-1,2,4-triazol-4-yl)piperidine (CID 13375843) is 4-(3-phenyl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 4-(3-phenyl-1,2,4-triazol-4-yl)piperidine is c1ccc(-c2nncn2C2CCNCC2)cc1.
What is the InChIKey of 4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is SRQWWKWYELILSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-4-11(5-3-1)13-16-15-10-17(13)12-6-8-14-9-7-12/h1-5,10,12,14H,6-9H2.
What are the key properties of 4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
4-(3-phenyl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 228.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 13375843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).