1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone

C19H21ClN2O — CID 5332949

IUPAC1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-15(23)16-6-8-18(9-7-16)22-12-10-21(11-13-22)14-17-4-2-3-5-19(17)20/h2-9H,10-14H2,1H3
InChIKeyJGGAAJKTIPEBGD-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.86
Rot. Bonds4

About 1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 5332949) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
PubChem CID5332949
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-15(23)16-6-8-18(9-7-16)22-12-10-21(11-13-22)14-17-4-2-3-5-19(17)20/h2-9H,10-14H2,1H3
InChIKeyJGGAAJKTIPEBGD-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4,4'-Bis(diethylamino)benzophenone
CID 66663
4-(4-Methyl-1-piperazinyl)acetophenone
CID 33551
Propiophenone, 3-(4-phenyl-1-piperazinyl)-
CID 213313
1-(4-Chlorophenyl)-3-(4-ethylanilino)-1-propanone
CID 2060430
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 4150876
2-(4-(4-Chlorophenyl)-1-piperazinyl)-1-phenylethanone
CID 1477078
1-[4-(4-Benzoyl-piperazin-1-yl)-3-fluoro-phenyl]-butan-1-one
CID 613152
1-[4-(4-Benzylpiperazin-1-yl)phenyl]ethanone
CID 757808
1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
CID 897167

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone (CID 5332949) is 1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is JGGAAJKTIPEBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-15(23)16-6-8-18(9-7-16)22-12-10-21(11-13-22)14-17-4-2-3-5-19(17)20/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 328.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 5332949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).