1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C20H23ClN2O — CID 35025394

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H23ClN2O/c1-20(2,16-7-4-3-5-8-16)19(24)23-13-11-22(12-14-23)18-10-6-9-17(21)15-18/h3-10,15H,11-14H2,1-2H3
InChIKeyOTFIDTXLRQPGQA-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.97
Rot. Bonds3

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 35025394) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID35025394
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H23ClN2O/c1-20(2,16-7-4-3-5-8-16)19(24)23-13-11-22(12-14-23)18-10-6-9-17(21)15-18/h3-10,15H,11-14H2,1-2H3
InChIKeyOTFIDTXLRQPGQA-UHFFFAOYSA-N
XLogP3.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 113197535
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
2,2,2-trichloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 4196573
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 62833198
2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 46571664
tert-butyl 4-(3-chlorophenyl)piperazine-1-carboxylate;ethane
CID 178158418
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108965472
2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400424
N-butan-2-yl-3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide
CID 108958212
2-(4-chlorophenyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 56548042
2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 112766333
2-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197527

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 35025394) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is OTFIDTXLRQPGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-20(2,16-7-4-3-5-8-16)19(24)23-13-11-22(12-14-23)18-10-6-9-17(21)15-18/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 342.87 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 35025394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).