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

C17H16Cl2N2O — CID 702506

IUPAC(3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16Cl2N2O/c18-14-4-1-3-13(11-14)17(22)21-9-7-20(8-10-21)16-6-2-5-15(19)12-16/h1-6,11-12H,7-10H2
InChIKeyVLJJABHBGDXSRX-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.96
Rot. Bonds2

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

(3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 702506) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID702506
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name(3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16Cl2N2O/c18-14-4-1-3-13(11-14)17(22)21-9-7-20(8-10-21)16-6-2-5-15(19)12-16/h1-6,11-12H,7-10H2
InChIKeyVLJJABHBGDXSRX-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-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 702506) is (3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is VLJJABHBGDXSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-14-4-1-3-13(11-14)17(22)21-9-7-20(8-10-21)16-6-2-5-15(19)12-16/h1-6,11-12H,7-10H2.
What are the key properties of (3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(3-chlorophenyl)piperazin-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-chlorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 702506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).