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

C22H29Cl3N2O3 — CID 174662009

IUPAC1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride
SMILESCOc1ccc(C=CN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1OC.Cl.Cl
InChIInChI=1S/C22H27ClN2O3.2ClH/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;2*1H
InChIKeyPAWLCFGSKUDCNR-UHFFFAOYSA-N
MW475.84 g/mol
LogP4.87
Rot. Bonds8

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

1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride (PubChem CID 174662009) has the molecular formula C22H29Cl3N2O3 and a molecular weight of 475.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride
PubChem CID174662009
Molecular FormulaC22H29Cl3N2O3
Molecular Weight475.84 g/mol
Exact Mass474.12
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride
SMILESCOc1ccc(C=CN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1OC.Cl.Cl
InChIInChI=1S/C22H27ClN2O3.2ClH/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;2*1H
InChIKeyPAWLCFGSKUDCNR-UHFFFAOYSA-N
XLogP4.87
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.84
LogP ≤ 54.87
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
CID 174661941
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
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 27847337
(E)-3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 42311398
3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20984224
[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;dihydrochloride?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride (CID 174662009) is 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride is COc1ccc(C=CN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1OC.Cl.Cl.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride?
The InChIKey is PAWLCFGSKUDCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3.2ClH/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;2*1H.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride?
1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride has a molecular weight of 475.84 g/mol, XLogP of 4.87, 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;dihydrochloride is sourced from PubChem (CID 174662009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).