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

C17H24N4 — CID 50954302

IUPAC1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine
SMILESc1ccc(CCc2n[nH]c(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C17H24N4/c1-3-7-15(8-4-1)9-10-16-18-17(20-19-16)11-14-21-12-5-2-6-13-21/h1,3-4,7-8H,2,5-6,9-14H2,(H,18,19,20)
InChIKeyDBIZXHVHZMRQMQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.62
Rot. Bonds6

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

1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine (PubChem CID 50954302) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine
PubChem CID50954302
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine
SMILESc1ccc(CCc2n[nH]c(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C17H24N4/c1-3-7-15(8-4-1)9-10-16-18-17(20-19-16)11-14-21-12-5-2-6-13-21/h1,3-4,7-8H,2,5-6,9-14H2,(H,18,19,20)
InChIKeyDBIZXHVHZMRQMQ-UHFFFAOYSA-N
XLogP2.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine (CID 50954302) is 1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine is c1ccc(CCc2n[nH]c(CCN3CCCCC3)n2)cc1.
What is the InChIKey of 1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine?
The InChIKey is DBIZXHVHZMRQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-7-15(8-4-1)9-10-16-18-17(20-19-16)11-14-21-12-5-2-6-13-21/h1,3-4,7-8H,2,5-6,9-14H2,(H,18,19,20).
What are the key properties of 1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine?
1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine has a molecular weight of 284.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine is sourced from PubChem (CID 50954302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).