1-[(5-ethylthiophen-3-yl)methyl]piperazine

C11H18N2S — CID 82508207

IUPAC1-[(5-ethylthiophen-3-yl)methyl]piperazine
SMILESCCc1cc(CN2CCNCC2)cs1
InChIInChI=1S/C11H18N2S/c1-2-11-7-10(9-14-11)8-13-5-3-12-4-6-13/h7,9,12H,2-6,8H2,1H3
InChIKeyYJMCHFQQVUCNBQ-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.72
Rot. Bonds3

About 1-[(5-ethylthiophen-3-yl)methyl]piperazine

1-[(5-ethylthiophen-3-yl)methyl]piperazine (PubChem CID 82508207) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-ethylthiophen-3-yl)methyl]piperazine
PubChem CID82508207
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-[(5-ethylthiophen-3-yl)methyl]piperazine
SMILESCCc1cc(CN2CCNCC2)cs1
InChIInChI=1S/C11H18N2S/c1-2-11-7-10(9-14-11)8-13-5-3-12-4-6-13/h7,9,12H,2-6,8H2,1H3
InChIKeyYJMCHFQQVUCNBQ-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 24704411
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
1-[(4-ethylphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906411
1-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]piperazine
CID 117395460
2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline
CID 82509242
1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117410722
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
propane;1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 177343128
3-fluoro-2-methyl-5-(piperazin-1-ylmethyl)aniline
CID 82509599
azane;1-benzylpiperazine
CID 174866973

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-3-yl)methyl]piperazine?
The IUPAC name of 1-[(5-ethylthiophen-3-yl)methyl]piperazine (CID 82508207) is 1-[(5-ethylthiophen-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-ethylthiophen-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-ethylthiophen-3-yl)methyl]piperazine is CCc1cc(CN2CCNCC2)cs1.
What is the InChIKey of 1-[(5-ethylthiophen-3-yl)methyl]piperazine?
The InChIKey is YJMCHFQQVUCNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-11-7-10(9-14-11)8-13-5-3-12-4-6-13/h7,9,12H,2-6,8H2,1H3.
What are the key properties of 1-[(5-ethylthiophen-3-yl)methyl]piperazine?
1-[(5-ethylthiophen-3-yl)methyl]piperazine has a molecular weight of 210.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-3-yl)methyl]piperazine is sourced from PubChem (CID 82508207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).