4-(3-phenyltriazol-4-yl)piperidine

C13H16N4 — CID 84692024

IUPAC4-(3-phenyltriazol-4-yl)piperidine
SMILESc1ccc(-n2nncc2C2CCNCC2)cc1
InChIInChI=1S/C13H16N4/c1-2-4-12(5-3-1)17-13(10-15-16-17)11-6-8-14-9-7-11/h1-5,10-11,14H,6-9H2
InChIKeyVEZPLASMLWIGMP-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.73
Rot. Bonds2

About 4-(3-phenyltriazol-4-yl)piperidine

4-(3-phenyltriazol-4-yl)piperidine (PubChem CID 84692024) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(3-phenyltriazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(3-phenyltriazol-4-yl)piperidine
PubChem CID84692024
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(3-phenyltriazol-4-yl)piperidine
SMILESc1ccc(-n2nncc2C2CCNCC2)cc1
InChIInChI=1S/C13H16N4/c1-2-4-12(5-3-1)17-13(10-15-16-17)11-6-8-14-9-7-11/h1-5,10-11,14H,6-9H2
InChIKeyVEZPLASMLWIGMP-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-pyrrolidin-3-yltriazol-1-yl)phenol
CID 84693510
1-(3-phenyltriazol-4-yl)piperazine
CID 59511215
4-(1-phenyl-4,5-dihydroimidazol-2-yl)piperidine
CID 59511205
5-(4-methyl-1,3-dioxetan-2-yl)-1-phenyltriazole
CID 67576363
N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine
CID 114691535
3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine
CID 114691734
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 114691489
4-(3-phenyltriazol-4-yl)azepan-4-ol
CID 114685429
4-piperidin-4-yltriazolo[1,5-a]pyridine
CID 96619296
5-cyclopropyl-1-phenylpyrazole
CID 67206706
4-(4-ethyl-1,5-diphenylpyrazol-3-yl)piperidine
CID 177339507

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyltriazol-4-yl)piperidine?
The IUPAC name of 4-(3-phenyltriazol-4-yl)piperidine (CID 84692024) is 4-(3-phenyltriazol-4-yl)piperidine.
What is the SMILES notation for 4-(3-phenyltriazol-4-yl)piperidine?
The canonical SMILES for 4-(3-phenyltriazol-4-yl)piperidine is c1ccc(-n2nncc2C2CCNCC2)cc1.
What is the InChIKey of 4-(3-phenyltriazol-4-yl)piperidine?
The InChIKey is VEZPLASMLWIGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-4-12(5-3-1)17-13(10-15-16-17)11-6-8-14-9-7-11/h1-5,10-11,14H,6-9H2.
What are the key properties of 4-(3-phenyltriazol-4-yl)piperidine?
4-(3-phenyltriazol-4-yl)piperidine has a molecular weight of 228.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyltriazol-4-yl)piperidine is sourced from PubChem (CID 84692024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).