3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one

C15H20Cl2N2O — CID 100601115

IUPAC3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-18-8-10-19(11-9-18)15(20)7-6-12-13(16)4-3-5-14(12)17/h3-5H,2,6-11H2,1H3
InChIKeyWLOTVBJTPQOAEM-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.09
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one

3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 100601115) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID100601115
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-18-8-10-19(11-9-18)15(20)7-6-12-13(16)4-3-5-14(12)17/h3-5H,2,6-11H2,1H3
InChIKeyWLOTVBJTPQOAEM-UHFFFAOYSA-N
XLogP3.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one
CID 100600205
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
3-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 51066922
N-(2,6-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113179960
2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995630
3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017492
4-chloro-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 113201284
3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017526
3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017604
3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 94719688
4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 110427003
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 100601115) is 3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is WLOTVBJTPQOAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-18-8-10-19(11-9-18)15(20)7-6-12-13(16)4-3-5-14(12)17/h3-5H,2,6-11H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one?
3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 315.24 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 100601115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).