1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine

C13H16N4 — CID 50879631

IUPAC1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine
SMILESc1ccc(-n2cnnc2)c(N2CCCCC2)c1
InChIInChI=1S/C13H16N4/c1-4-8-16(9-5-1)12-6-2-3-7-13(12)17-10-14-15-11-17/h2-3,6-7,10-11H,1,4-5,8-9H2
InChIKeyZHYJPBGSXVCEHO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.26
Rot. Bonds2

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

1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine (PubChem CID 50879631) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine.

Molecular Properties

Compound Name1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine
PubChem CID50879631
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine
SMILESc1ccc(-n2cnnc2)c(N2CCCCC2)c1
InChIInChI=1S/C13H16N4/c1-4-8-16(9-5-1)12-6-2-3-7-13(12)17-10-14-15-11-17/h2-3,6-7,10-11H,1,4-5,8-9H2
InChIKeyZHYJPBGSXVCEHO-UHFFFAOYSA-N
XLogP2.26
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine?
The IUPAC name of 1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine (CID 50879631) is 1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine.
What is the SMILES notation for 1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine?
The canonical SMILES for 1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine is c1ccc(-n2cnnc2)c(N2CCCCC2)c1.
What is the InChIKey of 1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine?
The InChIKey is ZHYJPBGSXVCEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-4-8-16(9-5-1)12-6-2-3-7-13(12)17-10-14-15-11-17/h2-3,6-7,10-11H,1,4-5,8-9H2.
What are the key properties of 1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine?
1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine has a molecular weight of 228.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine is sourced from PubChem (CID 50879631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).