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

C15H20N4 — CID 62216718

IUPAC2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine
SMILESc1ccc(-c2n[nH]c(CCC3CCCCN3)n2)cc1
InChIInChI=1S/C15H20N4/c1-2-6-12(7-3-1)15-17-14(18-19-15)10-9-13-8-4-5-11-16-13/h1-3,6-7,13,16H,4-5,8-11H2,(H,17,18,19)
InChIKeyYPHWWXSIIFWXBH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.55
Rot. Bonds4

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

2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine (PubChem CID 62216718) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine
PubChem CID62216718
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine
SMILESc1ccc(-c2n[nH]c(CCC3CCCCN3)n2)cc1
InChIInChI=1S/C15H20N4/c1-2-6-12(7-3-1)15-17-14(18-19-15)10-9-13-8-4-5-11-16-13/h1-3,6-7,13,16H,4-5,8-11H2,(H,17,18,19)
InChIKeyYPHWWXSIIFWXBH-UHFFFAOYSA-N
XLogP2.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 79817603
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CID 61353981
5-(cyclobutylmethyl)-3-phenyl-1H-1,2,4-triazole
CID 103164431
N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168691
CID 142470178
CID 142470178
hydron;7-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
CID 174347735
2-(2-piperidin-2-ylethyl)-1H-imidazo[4,5-b]pyridine
CID 62217550
5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 55049135
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine;hydrobromide
CID 146014408
4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]aniline
CID 82568521

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine?
The IUPAC name of 2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine (CID 62216718) is 2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine?
The canonical SMILES for 2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine is c1ccc(-c2n[nH]c(CCC3CCCCN3)n2)cc1.
What is the InChIKey of 2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine?
The InChIKey is YPHWWXSIIFWXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-6-12(7-3-1)15-17-14(18-19-15)10-9-13-8-4-5-11-16-13/h1-3,6-7,13,16H,4-5,8-11H2,(H,17,18,19).
What are the key properties of 2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine?
2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine has a molecular weight of 256.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine is sourced from PubChem (CID 62216718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).