1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride

C17H21Cl2N3O — CID 120755613

IUPAC1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.Clc1cccc(OCCN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C17H20ClN3O.ClH/c18-15-4-1-5-16(11-15)22-10-9-21-8-7-20-13-17(21)14-3-2-6-19-12-14;/h1-6,11-12,17,20H,7-10,13H2;1H
InChIKeyRNCUYUYSLZGNKI-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride

1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120755613) has the molecular formula C17H21Cl2N3O and a molecular weight of 354.28 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120755613
Molecular FormulaC17H21Cl2N3O
Molecular Weight354.28 g/mol
Exact Mass353.11
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.Clc1cccc(OCCN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C17H20ClN3O.ClH/c18-15-4-1-5-16(11-15)22-10-9-21-8-7-20-13-17(21)14-3-2-6-19-12-14;/h1-6,11-12,17,20H,7-10,13H2;1H
InChIKeyRNCUYUYSLZGNKI-UHFFFAOYSA-N
XLogP3.18
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120756020
1-[2-(3-methylsulfonylphenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120754265
4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 120755301
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754776
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754797
1-[2-(4-methoxy-2-nitrophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755450
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755971
3-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730564

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride (CID 120755613) is 1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride is Cl.Clc1cccc(OCCN2CCNCC2c2cccnc2)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is RNCUYUYSLZGNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O.ClH/c18-15-4-1-5-16(11-15)22-10-9-21-8-7-20-13-17(21)14-3-2-6-19-12-14;/h1-6,11-12,17,20H,7-10,13H2;1H.
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride?
1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 354.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120755613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).