1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine

C17H22N2O2S — CID 3765219

IUPAC1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine
SMILESCOc1cccc(C(c2ccsc2)N2CCNCC2)c1OC
InChIInChI=1S/C17H22N2O2S/c1-20-15-5-3-4-14(17(15)21-2)16(13-6-11-22-12-13)19-9-7-18-8-10-19/h3-6,11-12,16,18H,7-10H2,1-2H3
InChIKeyWMHDDHDLJSXCLH-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.76
Rot. Bonds5

About 1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine

1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine (PubChem CID 3765219) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine
PubChem CID3765219
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine
SMILESCOc1cccc(C(c2ccsc2)N2CCNCC2)c1OC
InChIInChI=1S/C17H22N2O2S/c1-20-15-5-3-4-14(17(15)21-2)16(13-6-11-22-12-13)19-9-7-18-8-10-19/h3-6,11-12,16,18H,7-10H2,1-2H3
InChIKeyWMHDDHDLJSXCLH-UHFFFAOYSA-N
XLogP2.76
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 4315343
1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 5129561
1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3834286
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid
CID 3634513
1-[(5-fluoro-2-methoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3820279
1-[(2,3-dimethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane
CID 5159429
1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171177510
1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3922190
1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3890926
1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3831284
3-[(2,3-dimethoxyphenyl)-piperazin-1-ylmethyl]quinoline
CID 3831129
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine (CID 3765219) is 1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine is COc1cccc(C(c2ccsc2)N2CCNCC2)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine?
The InChIKey is WMHDDHDLJSXCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-20-15-5-3-4-14(17(15)21-2)16(13-6-11-22-12-13)19-9-7-18-8-10-19/h3-6,11-12,16,18H,7-10H2,1-2H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine?
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine has a molecular weight of 318.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine is sourced from PubChem (CID 3765219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).