1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine

C17H19Cl2N3O — CID 120756020

IUPAC1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine
SMILESClc1ccc(Cl)c(OCCN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C17H19Cl2N3O/c18-14-3-4-15(19)17(10-14)23-9-8-22-7-6-21-12-16(22)13-2-1-5-20-11-13/h1-5,10-11,16,21H,6-9,12H2
InChIKeyFQRXLAFYOBSSEQ-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.41
Rot. Bonds5

About 1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine

1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine (PubChem CID 120756020) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine
PubChem CID120756020
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine
SMILESClc1ccc(Cl)c(OCCN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C17H19Cl2N3O/c18-14-3-4-15(19)17(10-14)23-9-8-22-7-6-21-12-16(22)13-2-1-5-20-11-13/h1-5,10-11,16,21H,6-9,12H2
InChIKeyFQRXLAFYOBSSEQ-UHFFFAOYSA-N
XLogP3.41
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755613
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide
CID 120754693
4-(2,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120732685
4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 120755301
1-[2-(3-methylsulfonylphenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120754265
1-[2-(4-methoxy-2-nitrophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755450
N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755163
1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754776
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine (CID 120756020) is 1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine is Clc1ccc(Cl)c(OCCN2CCNCC2c2cccnc2)c1.
What is the InChIKey of 1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine?
The InChIKey is FQRXLAFYOBSSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c18-14-3-4-15(19)17(10-14)23-9-8-22-7-6-21-12-16(22)13-2-1-5-20-11-13/h1-5,10-11,16,21H,6-9,12H2.
What are the key properties of 1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine?
1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine has a molecular weight of 352.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120756020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).