1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione

C14H20N2S — CID 143169930

IUPAC1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione
SMILESCCc1cccc(N2CCN(C(C)=S)CC2)c1
InChIInChI=1S/C14H20N2S/c1-3-13-5-4-6-14(11-13)16-9-7-15(8-10-16)12(2)17/h4-6,11H,3,7-10H2,1-2H3
InChIKeyCLDBHDWAGFMPNC-UHFFFAOYSA-N
MW248.40 g/mol
LogP2.72
Rot. Bonds2

About 1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione

1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione (PubChem CID 143169930) has the molecular formula C14H20N2S and a molecular weight of 248.40 g/mol. Its IUPAC name is 1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione.

Molecular Properties

Compound Name1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione
PubChem CID143169930
Molecular FormulaC14H20N2S
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Name1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione
SMILESCCc1cccc(N2CCN(C(C)=S)CC2)c1
InChIInChI=1S/C14H20N2S/c1-3-13-5-4-6-14(11-13)16-9-7-15(8-10-16)12(2)17/h4-6,11H,3,7-10H2,1-2H3
InChIKeyCLDBHDWAGFMPNC-UHFFFAOYSA-N
XLogP2.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethylphenyl)-1-hydroxy-1-methylpiperazin-1-ium
CID 145226331
1-cyclopropyl-3-[1-(3-ethylphenyl)piperidin-4-yl]thiourea
CID 48926076
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
1-(3-ethylphenyl)-N-methylpiperidin-4-amine
CID 43315435
ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine
CID 176934415
3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine
CID 15124551
1-(3-ethylphenyl)-3,3-difluoroazetidine
CID 148676265
1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117368545
[4-(3-ethylphenyl)piperazin-1-yl]-(5-hydroperoxy-2-piperidin-1-ylphenyl)methanone
CID 143013308
N-benzyl-4-[3-(2-methylpropyl)phenyl]piperazine-1-carbothioamide
CID 88999348
2-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]propanoic acid
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4-(3-ethylphenyl)morpholine-2,6-dione
CID 63777941

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione?
The IUPAC name of 1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione (CID 143169930) is 1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione.
What is the SMILES notation for 1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione?
The canonical SMILES for 1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione is CCc1cccc(N2CCN(C(C)=S)CC2)c1.
What is the InChIKey of 1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione?
The InChIKey is CLDBHDWAGFMPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-3-13-5-4-6-14(11-13)16-9-7-15(8-10-16)12(2)17/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of 1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione?
1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione has a molecular weight of 248.40 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione is sourced from PubChem (CID 143169930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).