2-(2-methyl-1-benzothiophen-3-yl)piperidine

C14H17NS — CID 116987459

IUPAC2-(2-methyl-1-benzothiophen-3-yl)piperidine
SMILESCc1sc2ccccc2c1C1CCCCN1
InChIInChI=1S/C14H17NS/c1-10-14(12-7-4-5-9-15-12)11-6-2-3-8-13(11)16-10/h2-3,6,8,12,15H,4-5,7,9H2,1H3
InChIKeyCCWDGVWLKMLSJR-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.02
Rot. Bonds1

About 2-(2-methyl-1-benzothiophen-3-yl)piperidine

2-(2-methyl-1-benzothiophen-3-yl)piperidine (PubChem CID 116987459) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(2-methyl-1-benzothiophen-3-yl)piperidine.

Molecular Properties

Compound Name2-(2-methyl-1-benzothiophen-3-yl)piperidine
PubChem CID116987459
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name2-(2-methyl-1-benzothiophen-3-yl)piperidine
SMILESCc1sc2ccccc2c1C1CCCCN1
InChIInChI=1S/C14H17NS/c1-10-14(12-7-4-5-9-15-12)11-6-2-3-8-13(11)16-10/h2-3,6,8,12,15H,4-5,7,9H2,1H3
InChIKeyCCWDGVWLKMLSJR-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)piperidine
CID 4538625
(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride
CID 171194953
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine
CID 116987473
1-piperidin-2-ylnaphthalen-2-ol
CID 53391922
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
1,3-bis(azepan-2-yl)-4-methylnaphthalene-2-carboxamide
CID 68734752
2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine
CID 84710165
(2R)-2-(5-methylthiophen-2-yl)piperidine
CID 7048171
1-piperidin-2-ylnaphthalen-2-ol;hydrochloride
CID 121000004
cyclohexyl-(2-methyl-1-benzothiophen-3-yl)methanol
CID 66777138
(2S)-2-phenylpiperidine
CID 10997356

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-benzothiophen-3-yl)piperidine?
The IUPAC name of 2-(2-methyl-1-benzothiophen-3-yl)piperidine (CID 116987459) is 2-(2-methyl-1-benzothiophen-3-yl)piperidine.
What is the SMILES notation for 2-(2-methyl-1-benzothiophen-3-yl)piperidine?
The canonical SMILES for 2-(2-methyl-1-benzothiophen-3-yl)piperidine is Cc1sc2ccccc2c1C1CCCCN1.
What is the InChIKey of 2-(2-methyl-1-benzothiophen-3-yl)piperidine?
The InChIKey is CCWDGVWLKMLSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-14(12-7-4-5-9-15-12)11-6-2-3-8-13(11)16-10/h2-3,6,8,12,15H,4-5,7,9H2,1H3.
What are the key properties of 2-(2-methyl-1-benzothiophen-3-yl)piperidine?
2-(2-methyl-1-benzothiophen-3-yl)piperidine has a molecular weight of 231.36 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-benzothiophen-3-yl)piperidine is sourced from PubChem (CID 116987459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).