2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone

C18H18Cl2N2O — CID 2172123

IUPAC2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18Cl2N2O/c19-16-7-6-14(12-17(16)20)13-18(23)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2
InChIKeyBSMVAPZVPMCVLC-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.88
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2172123) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2172123
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18Cl2N2O/c19-16-7-6-14(12-17(16)20)13-18(23)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2
InChIKeyBSMVAPZVPMCVLC-UHFFFAOYSA-N
XLogP3.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 2172123) is 2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is BSMVAPZVPMCVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-16-7-6-14(12-17(16)20)13-18(23)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 349.26 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2172123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).