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

C22H27ClN2O3 — CID 174661941

IUPAC1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine
SMILESCOc1ccc(C=CN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C22H27ClN2O3/c1-26-21-8-3-18(17-22(21)27-2)9-10-24-11-13-25(14-12-24)15-16-28-20-6-4-19(23)5-7-20/h3-10,17H,11-16H2,1-2H3
InChIKeyZTZUCMHTKVIDCY-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.02
Rot. Bonds8

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

1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine (PubChem CID 174661941) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine
PubChem CID174661941
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine
SMILESCOc1ccc(C=CN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C22H27ClN2O3/c1-26-21-8-3-18(17-22(21)27-2)9-10-24-11-13-25(14-12-24)15-16-28-20-6-4-19(23)5-7-20/h3-10,17H,11-16H2,1-2H3
InChIKeyZTZUCMHTKVIDCY-UHFFFAOYSA-N
XLogP4.02
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride
CID 174662009
1-(2-phenoxyethyl)-4-(2-phenylethenyl)piperazine
CID 174650325
1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
CID 2232243
1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine
CID 11341288
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 27847235
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine
CID 174650212
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20984224
(E)-3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 42311398
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 27847337
[4-[(Z)-2-cyanoethenyl]-2-methoxyphenyl] 4-(4-chlorophenoxy)butanoate
CID 19228180

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine (CID 174661941) is 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine is COc1ccc(C=CN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1OC.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine?
The InChIKey is ZTZUCMHTKVIDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-26-21-8-3-18(17-22(21)27-2)9-10-24-11-13-25(14-12-24)15-16-28-20-6-4-19(23)5-7-20/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine?
1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine has a molecular weight of 402.92 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine is sourced from PubChem (CID 174661941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).