4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine

C16H20N8O — CID 70142449

IUPAC4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine
SMILESCc1cc(-n2cnnn2)ccc1OCc1cnn(C2CCNCC2)n1
InChIInChI=1S/C16H20N8O/c1-12-8-15(23-11-18-21-22-23)2-3-16(12)25-10-13-9-19-24(20-13)14-4-6-17-7-5-14/h2-3,8-9,11,14,17H,4-7,10H2,1H3
InChIKeyGWPKPHZPCRHFFW-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.07
Rot. Bonds5

About 4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine

4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine (PubChem CID 70142449) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine
PubChem CID70142449
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine
SMILESCc1cc(-n2cnnn2)ccc1OCc1cnn(C2CCNCC2)n1
InChIInChI=1S/C16H20N8O/c1-12-8-15(23-11-18-21-22-23)2-3-16(12)25-10-13-9-19-24(20-13)14-4-6-17-7-5-14/h2-3,8-9,11,14,17H,4-7,10H2,1H3
InChIKeyGWPKPHZPCRHFFW-UHFFFAOYSA-N
XLogP1.07
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine?
The IUPAC name of 4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine (CID 70142449) is 4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine.
What is the SMILES notation for 4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine?
The canonical SMILES for 4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine is Cc1cc(-n2cnnn2)ccc1OCc1cnn(C2CCNCC2)n1.
What is the InChIKey of 4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine?
The InChIKey is GWPKPHZPCRHFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-12-8-15(23-11-18-21-22-23)2-3-16(12)25-10-13-9-19-24(20-13)14-4-6-17-7-5-14/h2-3,8-9,11,14,17H,4-7,10H2,1H3.
What are the key properties of 4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine?
4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine has a molecular weight of 340.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine is sourced from PubChem (CID 70142449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).