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

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Related Compounds

2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole
CID 117439012
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
2-methyl-4-piperidin-3-ylphenol
CID 84663479
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole
CID 164553706
1-methoxy-6-piperidin-3-ylisoquinoline
CID 117358121
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847
3-[4-(thietan-3-yl)phenyl]piperidine
CID 115006012
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
3-(4-tert-butylphenyl)piperidine
CID 24904200
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
3-(4-methoxyphenyl)piperidine
CID 12937920
3-(4-propan-2-ylphenyl)piperidine
CID 58015975

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).