1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine

C18H24N2OS — CID 3902292

IUPAC1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine
SMILESCCc1ccc(C(c2ccc(OC)cc2)N2CCNCC2)s1
InChIInChI=1S/C18H24N2OS/c1-3-16-8-9-17(22-16)18(20-12-10-19-11-13-20)14-4-6-15(21-2)7-5-14/h4-9,18-19H,3,10-13H2,1-2H3
InChIKeyUOWIBPMWZGMOTO-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.31
Rot. Bonds5

About 1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine

1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine (PubChem CID 3902292) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine
PubChem CID3902292
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine
SMILESCCc1ccc(C(c2ccc(OC)cc2)N2CCNCC2)s1
InChIInChI=1S/C18H24N2OS/c1-3-16-8-9-17(22-16)18(20-12-10-19-11-13-20)14-4-6-15(21-2)7-5-14/h4-9,18-19H,3,10-13H2,1-2H3
InChIKeyUOWIBPMWZGMOTO-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(5-ethylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171281362
1-[(2,5-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 3501373
1-[(5-ethylthiophen-2-yl)-(2-methoxyphenyl)methyl]-1,4-diazepane
CID 3831048
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4271045
1-[(5-chlorothiophen-2-yl)-(4-ethylphenyl)methyl]piperazine
CID 4015812
1-[(5-chloro-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 3526751
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate
CID 62347366
1-[(5-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]-1,4-diazepane
CID 3767577
1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
CID 3960727

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine (CID 3902292) is 1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine is CCc1ccc(C(c2ccc(OC)cc2)N2CCNCC2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine?
The InChIKey is UOWIBPMWZGMOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-16-8-9-17(22-16)18(20-12-10-19-11-13-20)14-4-6-15(21-2)7-5-14/h4-9,18-19H,3,10-13H2,1-2H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine?
1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine has a molecular weight of 316.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3902292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).