(3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone

C17H16Cl2N2O — CID 679013

IUPAC(3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H16Cl2N2O/c18-15-7-6-13(12-16(15)19)17(22)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeySUDWSSFSLCVDAD-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.96
Rot. Bonds2

About (3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone

(3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 679013) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID679013
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name(3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H16Cl2N2O/c18-15-7-6-13(12-16(15)19)17(22)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeySUDWSSFSLCVDAD-UHFFFAOYSA-N
XLogP3.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone (CID 679013) is (3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is SUDWSSFSLCVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-15-7-6-13(12-16(15)19)17(22)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2.
What are the key properties of (3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
(3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 335.23 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 679013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).