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

C18H23ClN2O3S — CID 4693826

IUPAC1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(Cl)s2)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C18H23ClN2O3S/c1-22-13-5-4-12(17(23-2)18(13)24-3)16(14-6-7-15(19)25-14)21-10-8-20-9-11-21/h4-7,16,20H,8-11H2,1-3H3
InChIKeyAOAMSZLXCDAXKK-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.42
Rot. Bonds6

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

1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 4693826) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID4693826
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC Name1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(Cl)s2)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C18H23ClN2O3S/c1-22-13-5-4-12(17(23-2)18(13)24-3)16(14-6-7-15(19)25-14)21-10-8-20-9-11-21/h4-7,16,20H,8-11H2,1-3H3
InChIKeyAOAMSZLXCDAXKK-UHFFFAOYSA-N
XLogP3.42
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3280135
1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]piperazine
CID 171179683
1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methyl]piperazine;hydrochloride
CID 171181189
1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171178614
1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 3914218
1-[(R)-(5-chlorothiophen-2-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171180166
1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5238148
1-[(5-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3787615
1-[(3,4-dichlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3814985
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]piperazine
CID 171178914
1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 4306494
1-[phenyl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3762656

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 4693826) is 1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(C(c2ccc(Cl)s2)N2CCNCC2)c(OC)c1OC.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is AOAMSZLXCDAXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3S/c1-22-13-5-4-12(17(23-2)18(13)24-3)16(14-6-7-15(19)25-14)21-10-8-20-9-11-21/h4-7,16,20H,8-11H2,1-3H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 382.91 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 4693826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).