1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone

C21H30Cl2N2O2Si — CID 175603511

IUPAC1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
SMILESC[Si](C)(C)OC1=CCC(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C21H30Cl2N2O2Si/c1-28(2,3)27-17-9-7-16(8-10-17)15-20(26)25-13-11-24(12-14-25)19-6-4-5-18(22)21(19)23/h4-6,9,16H,7-8,10-15H2,1-3H3
InChIKeySKJRLRZLYKMXJE-UHFFFAOYSA-N
MW441.48 g/mol
LogP5.57
Rot. Bonds5

About 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone

1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone (PubChem CID 175603511) has the molecular formula C21H30Cl2N2O2Si and a molecular weight of 441.48 g/mol. Its IUPAC name is 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
PubChem CID175603511
Molecular FormulaC21H30Cl2N2O2Si
Molecular Weight441.48 g/mol
Exact Mass440.15
IUPAC Name1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
SMILESC[Si](C)(C)OC1=CCC(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C21H30Cl2N2O2Si/c1-28(2,3)27-17-9-7-16(8-10-17)15-20(26)25-13-11-24(12-14-25)19-6-4-5-18(22)21(19)23/h4-6,9,16H,7-8,10-15H2,1-3H3
InChIKeySKJRLRZLYKMXJE-UHFFFAOYSA-N
XLogP5.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.48
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one
CID 175603562
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069399
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanone
CID 57442804
3-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-1,4-thiazepan-5-one
CID 71798084
2-cyclopentyl-1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]ethanone
CID 55567234
6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one
CID 138022261
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573947
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 142773095
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
CID 55684386
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone (CID 175603511) is 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone is C[Si](C)(C)OC1=CCC(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)CC1.
What is the InChIKey of 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
The InChIKey is SKJRLRZLYKMXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30Cl2N2O2Si/c1-28(2,3)27-17-9-7-16(8-10-17)15-20(26)25-13-11-24(12-14-25)19-6-4-5-18(22)21(19)23/h4-6,9,16H,7-8,10-15H2,1-3H3.
What are the key properties of 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone?
1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone has a molecular weight of 441.48 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 175603511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).