1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine

C16H20Cl2N4O — CID 24957018

IUPAC1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine
SMILESCc1nc(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N4O/c1-12-19-16(23-10-9-21-7-3-2-4-8-21)20-22(12)13-5-6-14(17)15(18)11-13/h5-6,11H,2-4,7-10H2,1H3
InChIKeySCZDDJZQTICROW-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.75
Rot. Bonds5

About 1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine

1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine (PubChem CID 24957018) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is 1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine
PubChem CID24957018
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC Name1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine
SMILESCc1nc(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N4O/c1-12-19-16(23-10-9-21-7-3-2-4-8-21)20-22(12)13-5-6-14(17)15(18)11-13/h5-6,11H,2-4,7-10H2,1H3
InChIKeySCZDDJZQTICROW-UHFFFAOYSA-N
XLogP3.75
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione
CID 140546044
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
CID 67203920
1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine
CID 11689464
1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
CID 11689185
1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol
CID 142714975
1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
CID 11667265
4-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]morpholine
CID 11668112
1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]piperidine
CID 11537339
1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine
CID 11595561
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11674772
1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 43652270
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine?
The IUPAC name of 1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine (CID 24957018) is 1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine is Cc1nc(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine?
The InChIKey is SCZDDJZQTICROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O/c1-12-19-16(23-10-9-21-7-3-2-4-8-21)20-22(12)13-5-6-14(17)15(18)11-13/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine?
1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine has a molecular weight of 355.27 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine is sourced from PubChem (CID 24957018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).