4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol

C27H28Cl2N2O — CID 143237805

IUPAC4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol
SMILESC=C(c1c(C)cc(O)cc1C)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(C)cc2)C1
InChIInChI=1S/C27H28Cl2N2O/c1-17-5-7-21(8-6-17)26-16-30(20(4)27-18(2)13-23(32)14-19(27)3)11-12-31(26)25-10-9-22(28)15-24(25)29/h5-10,13-15,26,32H,4,11-12,16H2,1-3H3
InChIKeyHSXNDZXWVPOORO-UHFFFAOYSA-N
MW467.44 g/mol
LogP7.16
Rot. Bonds4

About 4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol

4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol (PubChem CID 143237805) has the molecular formula C27H28Cl2N2O and a molecular weight of 467.44 g/mol. Its IUPAC name is 4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol
PubChem CID143237805
Molecular FormulaC27H28Cl2N2O
Molecular Weight467.44 g/mol
Exact Mass466.16
IUPAC Name4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol
SMILESC=C(c1c(C)cc(O)cc1C)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(C)cc2)C1
InChIInChI=1S/C27H28Cl2N2O/c1-17-5-7-21(8-6-17)26-16-30(20(4)27-18(2)13-23(32)14-19(27)3)11-12-31(26)25-10-9-22(28)15-24(25)29/h5-10,13-15,26,32H,4,11-12,16H2,1-3H3
InChIKeyHSXNDZXWVPOORO-UHFFFAOYSA-N
XLogP7.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 143237547
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 143237586
2-amino-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-3-methylbut-3-en-1-one
CID 163978720
1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine
CID 59261442
(2S)-2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]butan-1-one
CID 143237811
(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 59261834
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 59261899
1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine
CID 143237516
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-(3-hydroxyphenyl)ethanone
CID 59261740
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261926
(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261610
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone
CID 59261841

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol?
The IUPAC name of 4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol (CID 143237805) is 4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol is C=C(c1c(C)cc(O)cc1C)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(C)cc2)C1.
What is the InChIKey of 4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol?
The InChIKey is HSXNDZXWVPOORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N2O/c1-17-5-7-21(8-6-17)26-16-30(20(4)27-18(2)13-23(32)14-19(27)3)11-12-31(26)25-10-9-22(28)15-24(25)29/h5-10,13-15,26,32H,4,11-12,16H2,1-3H3.
What are the key properties of 4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol?
4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol has a molecular weight of 467.44 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol is sourced from PubChem (CID 143237805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).