[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride

C17H21ClN2OS — CID 120740518

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccsc2)cc1.Cl
InChIInChI=1S/C17H20N2OS.ClH/c1-2-13-3-5-14(6-4-13)16-11-18-8-9-19(16)17(20)15-7-10-21-12-15;/h3-7,10,12,16,18H,2,8-9,11H2,1H3;1H
InChIKeyMPDNOWUECGJSOT-UHFFFAOYSA-N
MW336.89 g/mol
LogP3.52
Rot. Bonds3

About [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride

[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride (PubChem CID 120740518) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
PubChem CID120740518
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccsc2)cc1.Cl
InChIInChI=1S/C17H20N2OS.ClH/c1-2-13-3-5-14(6-4-13)16-11-18-8-9-19(16)17(20)15-7-10-21-12-15;/h3-7,10,12,16,18H,2,8-9,11H2,1H3;1H
InChIKeyMPDNOWUECGJSOT-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120741106
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride
CID 120740428
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
CID 120740299
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120741554
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
CID 120740764

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride (CID 120740518) is [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2ccsc2)cc1.Cl.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The InChIKey is MPDNOWUECGJSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS.ClH/c1-2-13-3-5-14(6-4-13)16-11-18-8-9-19(16)17(20)15-7-10-21-12-15;/h3-7,10,12,16,18H,2,8-9,11H2,1H3;1H.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride has a molecular weight of 336.89 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride is sourced from PubChem (CID 120740518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).