1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine

C24H22Cl2F2N2 — CID 143237964

IUPAC1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine
SMILESCc1cc(CN2CCN(c3ccc(F)cc3Cl)C(c3ccc(Cl)cc3)C2)ccc1F
InChIInChI=1S/C24H22Cl2F2N2/c1-16-12-17(2-8-22(16)28)14-29-10-11-30(23-9-7-20(27)13-21(23)26)24(15-29)18-3-5-19(25)6-4-18/h2-9,12-13,24H,10-11,14-15H2,1H3
InChIKeyUGAPISSXNDUPDE-UHFFFAOYSA-N
MW447.36 g/mol
LogP6.64
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine

1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine (PubChem CID 143237964) has the molecular formula C24H22Cl2F2N2 and a molecular weight of 447.36 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine
PubChem CID143237964
Molecular FormulaC24H22Cl2F2N2
Molecular Weight447.36 g/mol
Exact Mass446.11
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine
SMILESCc1cc(CN2CCN(c3ccc(F)cc3Cl)C(c3ccc(Cl)cc3)C2)ccc1F
InChIInChI=1S/C24H22Cl2F2N2/c1-16-12-17(2-8-22(16)28)14-29-10-11-30(23-9-7-20(27)13-21(23)26)24(15-29)18-3-5-19(25)6-4-18/h2-9,12-13,24H,10-11,14-15H2,1H3
InChIKeyUGAPISSXNDUPDE-UHFFFAOYSA-N
XLogP6.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.36
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 143237586
1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine
CID 149167124
[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol
CID 89446386
4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine
CID 11705679
4-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
CID 59261800
1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine
CID 143237516
5-chloro-2-[2-(4-chlorophenyl)-4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]benzonitrile
CID 59261837
2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine
CID 89446711
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 11649027
(1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol
CID 123871612
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-fluorophenyl)-3-methylsulfonylpropyl]piperazine
CID 158122083
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 59261970

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine (CID 143237964) is 1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine is Cc1cc(CN2CCN(c3ccc(F)cc3Cl)C(c3ccc(Cl)cc3)C2)ccc1F.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine?
The InChIKey is UGAPISSXNDUPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2F2N2/c1-16-12-17(2-8-22(16)28)14-29-10-11-30(23-9-7-20(27)13-21(23)26)24(15-29)18-3-5-19(25)6-4-18/h2-9,12-13,24H,10-11,14-15H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine?
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine has a molecular weight of 447.36 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 143237964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).