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

C15H18ClFN8O — CID 68990216

IUPAC4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride
SMILESCl.Fc1cc(-n2cnnn2)ccc1OCc1cnn(C2CCNCC2)n1
InChIInChI=1S/C15H17FN8O.ClH/c16-14-7-13(23-10-18-21-22-23)1-2-15(14)25-9-11-8-19-24(20-11)12-3-5-17-6-4-12;/h1-2,7-8,10,12,17H,3-6,9H2;1H
InChIKeyFHVCLJJASDUFJL-UHFFFAOYSA-N
MW380.82 g/mol
LogP1.32
Rot. Bonds5

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

4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride (PubChem CID 68990216) has the molecular formula C15H18ClFN8O and a molecular weight of 380.82 g/mol. Its IUPAC name is 4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride
PubChem CID68990216
Molecular FormulaC15H18ClFN8O
Molecular Weight380.82 g/mol
Exact Mass380.13
IUPAC Name4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride
SMILESCl.Fc1cc(-n2cnnn2)ccc1OCc1cnn(C2CCNCC2)n1
InChIInChI=1S/C15H17FN8O.ClH/c16-14-7-13(23-10-18-21-22-23)1-2-15(14)25-9-11-8-19-24(20-11)12-3-5-17-6-4-12;/h1-2,7-8,10,12,17H,3-6,9H2;1H
InChIKeyFHVCLJJASDUFJL-UHFFFAOYSA-N
XLogP1.32
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.82
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-[[2-methyl-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine
CID 70142449
4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]-2-methylpiperidine-1-carboxylic acid
CID 68744236
4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride
CID 68727407
4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride
CID 68984463
(1S,5R)-3-[4-[[6-(tetrazol-1-yl)-3-pyridinyl]oxymethyl]triazol-2-yl]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68988684
1-(4-chloro-3-fluorophenyl)tetrazole
CID 91105491
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171710418
N-[2-(2,4-difluorophenoxy)ethyl]-1-[4-(tetrazol-1-yl)phenyl]ethanamine
CID 84589164
N-[2-chloro-5-(tetrazol-1-yl)phenyl]azepan-4-amine
CID 103981190
1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine
CID 89157981
1-(4-fluorophenyl)tetrazole
CID 825628
N-piperidin-4-yl-4-(tetrazol-1-yl)benzamide
CID 43603117

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride?
The IUPAC name of 4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride (CID 68990216) is 4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride.
What is the SMILES notation for 4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride?
The canonical SMILES for 4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride is Cl.Fc1cc(-n2cnnn2)ccc1OCc1cnn(C2CCNCC2)n1.
What is the InChIKey of 4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride?
The InChIKey is FHVCLJJASDUFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN8O.ClH/c16-14-7-13(23-10-18-21-22-23)1-2-15(14)25-9-11-8-19-24(20-11)12-3-5-17-6-4-12;/h1-2,7-8,10,12,17H,3-6,9H2;1H.
What are the key properties of 4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride?
4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride has a molecular weight of 380.82 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-fluoro-4-(tetrazol-1-yl)phenoxy]methyl]triazol-2-yl]piperidine;hydrochloride is sourced from PubChem (CID 68990216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).