(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one

C24H29Cl2FN2O — CID 143044279

IUPAC(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)Cc1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C24H29Cl2FN2O/c1-16(2)13-19-5-4-6-22(27)23(19)28-9-11-29(12-10-28)24(30)17(3)14-18-7-8-20(25)15-21(18)26/h4-8,15-17H,9-14H2,1-3H3/t17-/m1/s1
InChIKeyOOVLOKOWGRCXAU-QGZVFWFLSA-N
MW451.41 g/mol
LogP5.86
Rot. Bonds6

About (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one

(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 143044279) has the molecular formula C24H29Cl2FN2O and a molecular weight of 451.41 g/mol. Its IUPAC name is (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID143044279
Molecular FormulaC24H29Cl2FN2O
Molecular Weight451.41 g/mol
Exact Mass450.16
IUPAC Name(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)Cc1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C24H29Cl2FN2O/c1-16(2)13-19-5-4-6-22(27)23(19)28-9-11-29(12-10-28)24(30)17(3)14-18-7-8-20(25)15-21(18)26/h4-8,15-17H,9-14H2,1-3H3/t17-/m1/s1
InChIKeyOOVLOKOWGRCXAU-QGZVFWFLSA-N
XLogP5.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.41
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
N-[(1S)-1-[2-[4-[(2R)-3-(4-chloro-2-methoxyphenyl)-2-methylpropanoyl]piperazin-1-yl]-3-fluorophenyl]-2-methylpropyl]-2-(methylamino)acetamide
CID 44577091
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(2,4-dichlorophenyl)-2-methylpropan-1-one
CID 119638946
3-(2-bromo-5-chlorophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 58222122
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(2-fluorophenyl)-2-methylpropan-1-one
CID 110352215
methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 110352236
(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-2-(propan-2-ylamino)propan-1-one
CID 44562362
3-(2-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110298802
3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 142918406
4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
CID 119216451
1-[4-[2-(2,4-dichlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 113075198
3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 109378493

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one (CID 143044279) is (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)Cc1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is OOVLOKOWGRCXAU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29Cl2FN2O/c1-16(2)13-19-5-4-6-22(27)23(19)28-9-11-29(12-10-28)24(30)17(3)14-18-7-8-20(25)15-21(18)26/h4-8,15-17H,9-14H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one?
(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 451.41 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 143044279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).