1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine

C18H24N2O3S — CID 5129561

IUPAC1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(C(c2ccsc2)N2CCNCC2)cc1OC
InChIInChI=1S/C18H24N2O3S/c1-21-15-11-17(23-3)16(22-2)10-14(15)18(13-4-9-24-12-13)20-7-5-19-6-8-20/h4,9-12,18-19H,5-8H2,1-3H3
InChIKeyGDSWYFTTXLRYJK-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.77
Rot. Bonds6

About 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine

1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 5129561) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID5129561
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(C(c2ccsc2)N2CCNCC2)cc1OC
InChIInChI=1S/C18H24N2O3S/c1-21-15-11-17(23-3)16(22-2)10-14(15)18(13-4-9-24-12-13)20-7-5-19-6-8-20/h4,9-12,18-19H,5-8H2,1-3H3
InChIKeyGDSWYFTTXLRYJK-UHFFFAOYSA-N
XLogP2.77
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 4315343
1-[(5-fluoro-2-methoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3820279
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 3765219
1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3715051
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 171181424
1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171179397
1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171175555
1-[(3,4-dichlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3504603
1-[(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4586881
1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171177510
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171178801

Frequently Asked Questions

What is the IUPAC name of 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine (CID 5129561) is 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(OC)c(C(c2ccsc2)N2CCNCC2)cc1OC.
What is the InChIKey of 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is GDSWYFTTXLRYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-21-15-11-17(23-3)16(22-2)10-14(15)18(13-4-9-24-12-13)20-7-5-19-6-8-20/h4,9-12,18-19H,5-8H2,1-3H3.
What are the key properties of 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine?
1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 348.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 5129561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).