1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine

C19H21ClN2 — CID 46231353

IUPAC1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine
SMILESCN1CCN(/C(=C/c2cccc(Cl)c2)c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2/c1-21-10-12-22(13-11-21)19(17-7-3-2-4-8-17)15-16-6-5-9-18(20)14-16/h2-9,14-15H,10-13H2,1H3/b19-15+
InChIKeyFPXKUIAXCDNPJA-XDJHFCHBSA-N
MW312.84 g/mol
LogP4.09
Rot. Bonds3

About 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine

1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine (PubChem CID 46231353) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine
PubChem CID46231353
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine
SMILESCN1CCN(/C(=C/c2cccc(Cl)c2)c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2/c1-21-10-12-22(13-11-21)19(17-7-3-2-4-8-17)15-16-6-5-9-18(20)14-16/h2-9,14-15H,10-13H2,1H3/b19-15+
InChIKeyFPXKUIAXCDNPJA-XDJHFCHBSA-N
XLogP4.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol
CID 46230582
(E)-3-(3-chlorophenyl)-2-phenylprop-2-enal
CID 82117781
(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29021819
(2Z)-2-[(3-chlorophenyl)methylidene]-1-phenylbutane-1,3-dione
CID 5388570
methyl (E)-3-(3-chlorophenyl)-2-phenylprop-2-enoate
CID 25192532
(E)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 33137658
N-[1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1354733
N-[(Z)-1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 2100669
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944416
2-[(E)-2-(3-chlorophenyl)-1-piperidin-1-ylethenyl]sulfanylacetic acid
CID 125180547
benzoic acid;1,4-dimethylpiperazine
CID 166460840

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine?
The IUPAC name of 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine (CID 46231353) is 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine?
The canonical SMILES for 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine is CN1CCN(/C(=C/c2cccc(Cl)c2)c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine?
The InChIKey is FPXKUIAXCDNPJA-XDJHFCHBSA-N. The full InChI is InChI=1S/C19H21ClN2/c1-21-10-12-22(13-11-21)19(17-7-3-2-4-8-17)15-16-6-5-9-18(20)14-16/h2-9,14-15H,10-13H2,1H3/b19-15+.
What are the key properties of 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine?
1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine has a molecular weight of 312.84 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine is sourced from PubChem (CID 46231353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).