3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine

C15H19NS — CID 117366317

IUPAC3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine
SMILESCc1sc2cc(C3CCCNC3)ccc2c1C
InChIInChI=1S/C15H19NS/c1-10-11(2)17-15-8-12(5-6-14(10)15)13-4-3-7-16-9-13/h5-6,8,13,16H,3-4,7,9H2,1-2H3
InChIKeyKBPQXFNEGBXUSQ-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.99
Rot. Bonds1

About 3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine

3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine (PubChem CID 117366317) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine.

Molecular Properties

Compound Name3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine
PubChem CID117366317
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine
SMILESCc1sc2cc(C3CCCNC3)ccc2c1C
InChIInChI=1S/C15H19NS/c1-10-11(2)17-15-8-12(5-6-14(10)15)13-4-3-7-16-9-13/h5-6,8,13,16H,3-4,7,9H2,1-2H3
InChIKeyKBPQXFNEGBXUSQ-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine?
The IUPAC name of 3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine (CID 117366317) is 3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine.
What is the SMILES notation for 3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine?
The canonical SMILES for 3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine is Cc1sc2cc(C3CCCNC3)ccc2c1C.
What is the InChIKey of 3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine?
The InChIKey is KBPQXFNEGBXUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10-11(2)17-15-8-12(5-6-14(10)15)13-4-3-7-16-9-13/h5-6,8,13,16H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine?
3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine has a molecular weight of 245.39 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine is sourced from PubChem (CID 117366317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).