1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine

C20H24Cl2N2O2 — CID 620153

IUPAC1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine
SMILESClc1cccc(OCCN2CCN(CCOc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H24Cl2N2O2/c21-17-3-1-5-19(15-17)25-13-11-23-7-9-24(10-8-23)12-14-26-20-6-2-4-18(22)16-20/h1-6,15-16H,7-14H2
InChIKeyHTESIOSNBHFBPG-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.07
Rot. Bonds8

About 1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine

1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine (PubChem CID 620153) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine
PubChem CID620153
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine
SMILESClc1cccc(OCCN2CCN(CCOc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H24Cl2N2O2/c21-17-3-1-5-19(15-17)25-13-11-23-7-9-24(10-8-23)12-14-26-20-6-2-4-18(22)16-20/h1-6,15-16H,7-14H2
InChIKeyHTESIOSNBHFBPG-UHFFFAOYSA-N
XLogP4.07
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3,4-Dichlorophenoxy)ethyl]morpholine
CID 803039
[2-(3-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10733406
4-[2-(4-Chlorophenoxy)ethyl]morpholine
CID 868407
1,4-Bis(2-phenoxyethyl)piperazine
CID 95748
1-(2-(4-Chlorophenoxy)ethyl)piperazine
CID 894310
1-[4-(3-Chlorophenoxy)butyl]piperidine
CID 2057691
N-[2-(3,5-dichlorophenoxy)ethyl]-N,N-dimethylamine
CID 3744277
4-(4-Chlorophenoxy)-4-methyl-1-(2-phenoxyethyl)piperidine
CID 121418538
1-[2-(3-Chloro-phenoxy)-ethyl]-pyrrolidine
CID 19661865
Piperazine, 1,4-bis(3-phenoxypropyl)-
CID 95749
4-[2-(2,5-Dichlorophenoxy)ethyl]morpholine
CID 869248
1-[6-(3-Chlorophenoxy)hexyl]piperidine
CID 2057716

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine?
The IUPAC name of 1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine (CID 620153) is 1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine.
What is the SMILES notation for 1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine?
The canonical SMILES for 1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine is Clc1cccc(OCCN2CCN(CCOc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine?
The InChIKey is HTESIOSNBHFBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c21-17-3-1-5-19(15-17)25-13-11-23-7-9-24(10-8-23)12-14-26-20-6-2-4-18(22)16-20/h1-6,15-16H,7-14H2.
What are the key properties of 1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine?
1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine has a molecular weight of 395.33 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine is sourced from PubChem (CID 620153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).