1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine

C19H23ClN2S — CID 10712649

IUPAC1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(C2CC(c3ccsc3)c3ccc(Cl)cc32)CCN1
InChIInChI=1S/C19H23ClN2S/c1-19(2)12-22(7-6-21-19)18-10-16(13-5-8-23-11-13)15-4-3-14(20)9-17(15)18/h3-5,8-9,11,16,18,21H,6-7,10,12H2,1-2H3
InChIKeyYSCQLSNJEINTEZ-UHFFFAOYSA-N
MW346.93 g/mol
LogP4.66
Rot. Bonds2

About 1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine

1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine (PubChem CID 10712649) has the molecular formula C19H23ClN2S and a molecular weight of 346.93 g/mol. Its IUPAC name is 1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine
PubChem CID10712649
Molecular FormulaC19H23ClN2S
Molecular Weight346.93 g/mol
Exact Mass346.13
IUPAC Name1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(C2CC(c3ccsc3)c3ccc(Cl)cc32)CCN1
InChIInChI=1S/C19H23ClN2S/c1-19(2)12-22(7-6-21-19)18-10-16(13-5-8-23-11-13)15-4-3-14(20)9-17(15)18/h3-5,8-9,11,16,18,21H,6-7,10,12H2,1-2H3
InChIKeyYSCQLSNJEINTEZ-UHFFFAOYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.93
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine with MolForge

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Related Compounds

4-(6-Chloro-3-thiophen-3-yl-indan-1-yl)-1,2,2-trimethyl-piperazine
CID 10784787
1-[(4-Chlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 285511
2-(4-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 16783198
1-[(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171175472
1-[(S)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171175478
1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171175547
1-[(S)-(5-chlorothiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]piperazine
CID 171175549
1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171175557
1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171175702
1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171175708
1-[(S)-(5-chlorothiophen-2-yl)-(3-fluoro-2-methylphenyl)methyl]piperazine
CID 171175828
1-[(S)-(5-chlorothiophen-2-yl)-(5-fluoro-2-methylphenyl)methyl]piperazine
CID 171176018

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine (CID 10712649) is 1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine is CC1(C)CN(C2CC(c3ccsc3)c3ccc(Cl)cc32)CCN1.
What is the InChIKey of 1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine?
The InChIKey is YSCQLSNJEINTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2S/c1-19(2)12-22(7-6-21-19)18-10-16(13-5-8-23-11-13)15-4-3-14(20)9-17(15)18/h3-5,8-9,11,16,18,21H,6-7,10,12H2,1-2H3.
What are the key properties of 1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine?
1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine has a molecular weight of 346.93 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-3,3-dimethylpiperazine is sourced from PubChem (CID 10712649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).