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

C19H21ClN2O — CID 757895

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-7-9-18(10-8-17)21-12-14-22(15-13-21)19(23)11-6-16-4-2-1-3-5-16/h1-5,7-10H,6,11-15H2
InChIKeyKLTAUWKWTAIYDF-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.62
Rot. Bonds4

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

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 757895) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID757895
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-7-9-18(10-8-17)21-12-14-22(15-13-21)19(23)11-6-16-4-2-1-3-5-16/h1-5,7-10H,6,11-15H2
InChIKeyKLTAUWKWTAIYDF-UHFFFAOYSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 87046447
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 60556729
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113078845
3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 68791115
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
2-[2-(4-chlorophenyl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002113
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113077319
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 757895) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is KLTAUWKWTAIYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-7-9-18(10-8-17)21-12-14-22(15-13-21)19(23)11-6-16-4-2-1-3-5-16/h1-5,7-10H,6,11-15H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 328.84 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 757895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).