[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane

C17H26Cl2N4O — CID 143492010

IUPAC[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane
SMILESCC.O=C(C1CNCCN1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N4O.C2H6/c16-12-2-1-11(9-13(12)17)20-5-7-21(8-6-20)15(22)14-10-18-3-4-19-14;1-2/h1-2,9,14,18-19H,3-8,10H2;1-2H3
InChIKeyUFDVJSUYNQMPIH-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.23
Rot. Bonds2

About [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane

[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane (PubChem CID 143492010) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane
PubChem CID143492010
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane
SMILESCC.O=C(C1CNCCN1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N4O.C2H6/c16-12-2-1-11(9-13(12)17)20-5-7-21(8-6-20)15(22)14-10-18-3-4-19-14;1-2/h1-2,9,14,18-19H,3-8,10H2;1-2H3
InChIKeyUFDVJSUYNQMPIH-UHFFFAOYSA-N
XLogP2.23
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane?
The IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane (CID 143492010) is [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane.
What is the SMILES notation for [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane?
The canonical SMILES for [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane is CC.O=C(C1CNCCN1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane?
The InChIKey is UFDVJSUYNQMPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4O.C2H6/c16-12-2-1-11(9-13(12)17)20-5-7-21(8-6-20)15(22)14-10-18-3-4-19-14;1-2/h1-2,9,14,18-19H,3-8,10H2;1-2H3.
What are the key properties of [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane?
[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane has a molecular weight of 373.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane is sourced from PubChem (CID 143492010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).