1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone

C19H20Cl2N2O — CID 4827039

IUPAC1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O/c20-17-7-4-8-18(21)16(17)13-19(24)23-11-9-22(10-12-23)14-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyFGQVOBUHXGALDU-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.88
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone (PubChem CID 4827039) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone
PubChem CID4827039
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O/c20-17-7-4-8-18(21)16(17)13-19(24)23-11-9-22(10-12-23)14-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyFGQVOBUHXGALDU-UHFFFAOYSA-N
XLogP3.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone (CID 4827039) is 1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone is O=C(Cc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone?
The InChIKey is FGQVOBUHXGALDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-17-7-4-8-18(21)16(17)13-19(24)23-11-9-22(10-12-23)14-15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone has a molecular weight of 363.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(2,6-dichlorophenyl)ethanone is sourced from PubChem (CID 4827039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).