1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine

C15H24N2S — CID 82501523

IUPAC1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine
SMILESCCSc1ccc(C(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C15H24N2S/c1-4-18-14-7-5-13(6-8-14)15(2,3)17-11-9-16-10-12-17/h5-8,16H,4,9-12H2,1-3H3
InChIKeyFHXPUKXWBOZSET-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.94
Rot. Bonds4

About 1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine

1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine (PubChem CID 82501523) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine
PubChem CID82501523
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine
SMILESCCSc1ccc(C(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C15H24N2S/c1-4-18-14-7-5-13(6-8-14)15(2,3)17-11-9-16-10-12-17/h5-8,16H,4,9-12H2,1-3H3
InChIKeyFHXPUKXWBOZSET-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-ethylsulfanylphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171190333
1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine
CID 95480576
1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine
CID 117035736
1-[2-(4-propan-2-yloxyphenyl)propan-2-yl]piperazine
CID 82303005
(3S)-3-(4-ethylsulfanylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171178104
1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171173138
1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine
CID 82292772
(3S)-3-(4-ethylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189770
4-(4-ethylsulfanylphenyl)piperidine
CID 82494376
2-(1,4-diazepan-1-yl)-2-(4-methylsulfanylphenyl)propan-1-ol
CID 61048838
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-yl]piperazine
CID 95479293
1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine
CID 82298206

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine?
The IUPAC name of 1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine (CID 82501523) is 1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine?
The canonical SMILES for 1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine is CCSc1ccc(C(C)(C)N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine?
The InChIKey is FHXPUKXWBOZSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-4-18-14-7-5-13(6-8-14)15(2,3)17-11-9-16-10-12-17/h5-8,16H,4,9-12H2,1-3H3.
What are the key properties of 1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine?
1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine has a molecular weight of 264.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine is sourced from PubChem (CID 82501523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).