4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine

C20H25ClN2S — CID 10784787

IUPAC4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine
SMILESCN1CCN(C2CC(c3ccsc3)c3ccc(Cl)cc32)CC1(C)C
InChIInChI=1S/C20H25ClN2S/c1-20(2)13-23(8-7-22(20)3)19-11-17(14-6-9-24-12-14)16-5-4-15(21)10-18(16)19/h4-6,9-10,12,17,19H,7-8,11,13H2,1-3H3
InChIKeyJUUYXOLEDYTRCB-UHFFFAOYSA-N
MW360.95 g/mol
LogP5.00
Rot. Bonds2

About 4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine

4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine (PubChem CID 10784787) has the molecular formula C20H25ClN2S and a molecular weight of 360.95 g/mol. Its IUPAC name is 4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine
PubChem CID10784787
Molecular FormulaC20H25ClN2S
Molecular Weight360.95 g/mol
Exact Mass360.14
IUPAC Name4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine
SMILESCN1CCN(C2CC(c3ccsc3)c3ccc(Cl)cc32)CC1(C)C
InChIInChI=1S/C20H25ClN2S/c1-20(2)13-23(8-7-22(20)3)19-11-17(14-6-9-24-12-14)16-5-4-15(21)10-18(16)19/h4-6,9-10,12,17,19H,7-8,11,13H2,1-3H3
InChIKeyJUUYXOLEDYTRCB-UHFFFAOYSA-N
XLogP5.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.95
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine?
The IUPAC name of 4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine (CID 10784787) is 4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine is CN1CCN(C2CC(c3ccsc3)c3ccc(Cl)cc32)CC1(C)C.
What is the InChIKey of 4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine?
The InChIKey is JUUYXOLEDYTRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2S/c1-20(2)13-23(8-7-22(20)3)19-11-17(14-6-9-24-12-14)16-5-4-15(21)10-18(16)19/h4-6,9-10,12,17,19H,7-8,11,13H2,1-3H3.
What are the key properties of 4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine?
4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine has a molecular weight of 360.95 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-thiophen-3-yl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine is sourced from PubChem (CID 10784787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).