[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone

C17H15Cl3N2O — CID 1070143

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15Cl3N2O/c18-13-2-1-3-14(11-13)21-6-8-22(9-7-21)17(23)12-4-5-15(19)16(20)10-12/h1-5,10-11H,6-9H2
InChIKeyXFPUYJPQKQNLPJ-UHFFFAOYSA-N
MW369.68 g/mol
LogP4.61
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone (PubChem CID 1070143) has the molecular formula C17H15Cl3N2O and a molecular weight of 369.68 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
PubChem CID1070143
Molecular FormulaC17H15Cl3N2O
Molecular Weight369.68 g/mol
Exact Mass368.02
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15Cl3N2O/c18-13-2-1-3-14(11-13)21-6-8-22(9-7-21)17(23)12-4-5-15(19)16(20)10-12/h1-5,10-11H,6-9H2
InChIKeyXFPUYJPQKQNLPJ-UHFFFAOYSA-N
XLogP4.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone (CID 1070143) is [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone?
The InChIKey is XFPUYJPQKQNLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O/c18-13-2-1-3-14(11-13)21-6-8-22(9-7-21)17(23)12-4-5-15(19)16(20)10-12/h1-5,10-11H,6-9H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone has a molecular weight of 369.68 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 1070143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).