(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone

C18H16Cl4N2O — CID 19295205

IUPAC(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H16Cl4N2O/c19-13-2-3-14(16(21)10-13)18(25)24-7-5-23(6-8-24)11-12-1-4-15(20)17(22)9-12/h1-4,9-10H,5-8,11H2
InChIKeyNDSSGVGJYVVXLR-UHFFFAOYSA-N
MW418.15 g/mol
LogP5.26
Rot. Bonds3

About (2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone

(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19295205) has the molecular formula C18H16Cl4N2O and a molecular weight of 418.15 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19295205
Molecular FormulaC18H16Cl4N2O
Molecular Weight418.15 g/mol
Exact Mass416.00
IUPAC Name(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H16Cl4N2O/c19-13-2-3-14(16(21)10-13)18(25)24-7-5-23(6-8-24)11-12-1-4-15(20)17(22)9-12/h1-4,9-10H,5-8,11H2
InChIKeyNDSSGVGJYVVXLR-UHFFFAOYSA-N
XLogP5.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.15
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331489
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515043
(2,5-dichlorophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methanone
CID 31637203
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 19478074
(2,4-dichlorophenyl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 37445550
(4-benzyl-1,4-diazepan-1-yl)-(2,5-dichlorophenyl)methanone
CID 18157465
[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 86781778
1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19295103
[4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119281987
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52934262

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone (CID 19295205) is (2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is NDSSGVGJYVVXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl4N2O/c19-13-2-3-14(16(21)10-13)18(25)24-7-5-23(6-8-24)11-12-1-4-15(20)17(22)9-12/h1-4,9-10H,5-8,11H2.
What are the key properties of (2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 418.15 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19295205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).