1-(2,3-dimethyldibenzothiophen-4-yl)piperidine

C19H21NS — CID 12861826

IUPAC1-(2,3-dimethyldibenzothiophen-4-yl)piperidine
SMILESCc1cc2c(sc3ccccc32)c(N2CCCCC2)c1C
InChIInChI=1S/C19H21NS/c1-13-12-16-15-8-4-5-9-17(15)21-19(16)18(14(13)2)20-10-6-3-7-11-20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyNGKMYUSHBQZQAF-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.66
Rot. Bonds1

About 1-(2,3-dimethyldibenzothiophen-4-yl)piperidine

1-(2,3-dimethyldibenzothiophen-4-yl)piperidine (PubChem CID 12861826) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(2,3-dimethyldibenzothiophen-4-yl)piperidine.

Molecular Properties

Compound Name1-(2,3-dimethyldibenzothiophen-4-yl)piperidine
PubChem CID12861826
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name1-(2,3-dimethyldibenzothiophen-4-yl)piperidine
SMILESCc1cc2c(sc3ccccc32)c(N2CCCCC2)c1C
InChIInChI=1S/C19H21NS/c1-13-12-16-15-8-4-5-9-17(15)21-19(16)18(14(13)2)20-10-6-3-7-11-20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyNGKMYUSHBQZQAF-UHFFFAOYSA-N
XLogP5.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyldibenzothiophen-4-yl)piperidine?
The IUPAC name of 1-(2,3-dimethyldibenzothiophen-4-yl)piperidine (CID 12861826) is 1-(2,3-dimethyldibenzothiophen-4-yl)piperidine.
What is the SMILES notation for 1-(2,3-dimethyldibenzothiophen-4-yl)piperidine?
The canonical SMILES for 1-(2,3-dimethyldibenzothiophen-4-yl)piperidine is Cc1cc2c(sc3ccccc32)c(N2CCCCC2)c1C.
What is the InChIKey of 1-(2,3-dimethyldibenzothiophen-4-yl)piperidine?
The InChIKey is NGKMYUSHBQZQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-13-12-16-15-8-4-5-9-17(15)21-19(16)18(14(13)2)20-10-6-3-7-11-20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dimethyldibenzothiophen-4-yl)piperidine?
1-(2,3-dimethyldibenzothiophen-4-yl)piperidine has a molecular weight of 295.45 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyldibenzothiophen-4-yl)piperidine is sourced from PubChem (CID 12861826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).