1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine

C16H19Cl2N3O — CID 11667265

IUPAC1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
SMILESClc1ccc(-n2ccc(OCCN3CCCCC3)n2)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c17-14-5-4-13(12-15(14)18)21-9-6-16(19-21)22-11-10-20-7-2-1-3-8-20/h4-6,9,12H,1-3,7-8,10-11H2
InChIKeyPUZILSCHNRFUBL-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.04
Rot. Bonds5

About 1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine

1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine (PubChem CID 11667265) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
PubChem CID11667265
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
SMILESClc1ccc(-n2ccc(OCCN3CCCCC3)n2)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c17-14-5-4-13(12-15(14)18)21-9-6-16(19-21)22-11-10-20-7-2-1-3-8-20/h4-6,9,12H,1-3,7-8,10-11H2
InChIKeyPUZILSCHNRFUBL-UHFFFAOYSA-N
XLogP4.04
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11674772
4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine
CID 24739749
1-[1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidin-4-yl]ethanone;oxalic acid
CID 24743740
4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride
CID 67204666
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-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine
CID 162119357
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
CID 67203920
2-[1-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-3-piperidin-1-ylpropan-2-yl]oxy-2-oxoacetic acid
CID 91196794
1-[1-(3-chloro-4-methylphenyl)pyrazol-3-yl]oxy-3-piperidin-1-ylpropan-2-ol
CID 67587874
1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine
CID 24957018
2-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-2-hydroxy-1-pyrrolidin-1-ylpropoxy]-2-oxoacetic acid
CID 118893604

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine (CID 11667265) is 1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine is Clc1ccc(-n2ccc(OCCN3CCCCC3)n2)cc1Cl.
What is the InChIKey of 1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine?
The InChIKey is PUZILSCHNRFUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c17-14-5-4-13(12-15(14)18)21-9-6-16(19-21)22-11-10-20-7-2-1-3-8-20/h4-6,9,12H,1-3,7-8,10-11H2.
What are the key properties of 1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine?
1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine has a molecular weight of 340.25 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine is sourced from PubChem (CID 11667265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).