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

C19H21ClN2O — CID 779652

IUPAC1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-15(23)17-4-8-19(9-5-17)22-12-10-21(11-13-22)14-16-2-6-18(20)7-3-16/h2-9H,10-14H2,1H3
InChIKeyWFZBLVSHCPDWHR-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.86
Rot. Bonds4

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

1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 779652) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
PubChem CID779652
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-15(23)17-4-8-19(9-5-17)22-12-10-21(11-13-22)14-16-2-6-18(20)7-3-16/h2-9H,10-14H2,1H3
InChIKeyWFZBLVSHCPDWHR-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

Lofepramine
CID 3947
4,4'-Bis(dimethylamino)benzophenone
CID 7031
Lofepramine Hydrochloride
CID 33611
4,4'-Bis(diethylamino)benzophenone
CID 66663
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 4150876
4-(4-Methyl-1-piperazinyl)acetophenone
CID 33551
Propiophenone, 3-(4-phenyl-1-piperazinyl)-
CID 213313
1-(4-Chlorophenyl)-3-(3,4-dimethylanilino)-1-propanone
CID 888422
1-(4-Chlorophenyl)-3-(4-ethylanilino)-1-propanone
CID 2060430
4'-Piperidinoacetophenone
CID 82561
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone (CID 779652) is 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is WFZBLVSHCPDWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-15(23)17-4-8-19(9-5-17)22-12-10-21(11-13-22)14-16-2-6-18(20)7-3-16/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[(4-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-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 779652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).