1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one

C19H19Cl3N2O — CID 55684386

IUPAC1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H19Cl3N2O/c20-15-5-1-2-7-17(15)23-10-12-24(13-11-23)18(25)9-8-14-4-3-6-16(21)19(14)22/h1-7H,8-13H2
InChIKeyJLZVELFWLYCFSZ-UHFFFAOYSA-N
MW397.73 g/mol
LogP4.93
Rot. Bonds4

About 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one

1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one (PubChem CID 55684386) has the molecular formula C19H19Cl3N2O and a molecular weight of 397.73 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
PubChem CID55684386
Molecular FormulaC19H19Cl3N2O
Molecular Weight397.73 g/mol
Exact Mass396.06
IUPAC Name1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H19Cl3N2O/c20-15-5-1-2-7-17(15)23-10-12-24(13-11-23)18(25)9-8-14-4-3-6-16(21)19(14)22/h1-7H,8-13H2
InChIKeyJLZVELFWLYCFSZ-UHFFFAOYSA-N
XLogP4.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.73
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069399
2-[4-[3-(2,3-dichlorophenyl)propanoyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890836
3-(2,3-dichlorophenyl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 60553288
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
CID 39717956
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 78782073
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
3-(3-chlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 134031560
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 55345739
3-(2,3-dichlorophenyl)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one
CID 46460569
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 120612041

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one?
The IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one (CID 55684386) is 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one.
What is the SMILES notation for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one?
The canonical SMILES for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one is O=C(CCc1cccc(Cl)c1Cl)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one?
The InChIKey is JLZVELFWLYCFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O/c20-15-5-1-2-7-17(15)23-10-12-24(13-11-23)18(25)9-8-14-4-3-6-16(21)19(14)22/h1-7H,8-13H2.
What are the key properties of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one?
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one has a molecular weight of 397.73 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one is sourced from PubChem (CID 55684386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).