1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine

C20H23ClN2O — CID 142954737

IUPAC1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine
SMILESC=C(c1ccccc1OCC)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O/c1-3-24-20-10-5-4-9-19(20)16(2)22-11-13-23(14-12-22)18-8-6-7-17(21)15-18/h4-10,15H,2-3,11-14H2,1H3
InChIKeyJUQDEPZDWLJKFK-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.53
Rot. Bonds5

About 1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine

1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine (PubChem CID 142954737) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine
PubChem CID142954737
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine
SMILESC=C(c1ccccc1OCC)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O/c1-3-24-20-10-5-4-9-19(20)16(2)22-11-13-23(14-12-22)18-8-6-7-17(21)15-18/h4-10,15H,2-3,11-14H2,1H3
InChIKeyJUQDEPZDWLJKFK-UHFFFAOYSA-N
XLogP4.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 134059605
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 1116272
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
[4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxy-4-hydroxyphenyl)methanethione
CID 135715548
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
CID 22680945
[4-(3-chlorophenyl)piperazin-1-yl]-(2-hydroxyphenyl)methanethione
CID 926155
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2-methoxyphenyl)butane-1,4-dione
CID 121448945
2-ethoxy-N-[3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 24644906
1-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-ethoxyphenyl]ethanone
CID 112769273
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 31302422

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine (CID 142954737) is 1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine is C=C(c1ccccc1OCC)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine?
The InChIKey is JUQDEPZDWLJKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-3-24-20-10-5-4-9-19(20)16(2)22-11-13-23(14-12-22)18-8-6-7-17(21)15-18/h4-10,15H,2-3,11-14H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine?
1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine has a molecular weight of 342.87 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine is sourced from PubChem (CID 142954737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).