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

C13H15ClN4 — CID 82569184

IUPAC3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESClc1ccc(-c2n[nH]c(C3CCCNC3)n2)cc1
InChIInChI=1S/C13H15ClN4/c14-11-5-3-9(4-6-11)12-16-13(18-17-12)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2,(H,16,17,18)
InChIKeyMEXLARQDDYMRMN-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.59
Rot. Bonds2

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

3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine (PubChem CID 82569184) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
PubChem CID82569184
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
SMILESClc1ccc(-c2n[nH]c(C3CCCNC3)n2)cc1
InChIInChI=1S/C13H15ClN4/c14-11-5-3-9(4-6-11)12-16-13(18-17-12)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2,(H,16,17,18)
InChIKeyMEXLARQDDYMRMN-UHFFFAOYSA-N
XLogP2.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol
CID 136699736
3-(3-chloro-1H-1,2,4-triazol-5-yl)piperidine
CID 84660806
3-[3-(trichloromethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569188
3-(3-chlorophenyl)-5-cyclohexyl-1H-1,2,4-triazole
CID 61337346
2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 61337767
4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline
CID 61338708
2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739362
5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole
CID 63213792
3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole
CID 107954590
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 67027843
4-chloro-2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)aniline
CID 86820070

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The IUPAC name of 3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine (CID 82569184) is 3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine is Clc1ccc(-c2n[nH]c(C3CCCNC3)n2)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
The InChIKey is MEXLARQDDYMRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c14-11-5-3-9(4-6-11)12-16-13(18-17-12)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2,(H,16,17,18).
What are the key properties of 3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine?
3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine has a molecular weight of 262.74 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine is sourced from PubChem (CID 82569184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).