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

C13H15NS — CID 4538625

IUPAC2-(1-benzothiophen-3-yl)piperidine
SMILESc1ccc2c(C3CCCCN3)csc2c1
InChIInChI=1S/C13H15NS/c1-2-7-13-10(5-1)11(9-15-13)12-6-3-4-8-14-12/h1-2,5,7,9,12,14H,3-4,6,8H2
InChIKeyPWJFUNNDKMJJHZ-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.72
Rot. Bonds1

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

2-(1-benzothiophen-3-yl)piperidine (PubChem CID 4538625) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)piperidine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)piperidine
PubChem CID4538625
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-(1-benzothiophen-3-yl)piperidine
SMILESc1ccc2c(C3CCCCN3)csc2c1
InChIInChI=1S/C13H15NS/c1-2-7-13-10(5-1)11(9-15-13)12-6-3-4-8-14-12/h1-2,5,7,9,12,14H,3-4,6,8H2
InChIKeyPWJFUNNDKMJJHZ-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride
CID 171194953
1-(azepan-2-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 116582553
2-(1-benzothiophen-4-yl)pyrrolidine
CID 130002053
2-naphthalen-1-ylpiperidine
CID 4209523
(2S)-2-naphthalen-1-ylazepane
CID 7048283
4-[(2R)-piperidin-2-yl]naphthalen-1-ol
CID 171195556
2-(2-methyl-1-benzothiophen-3-yl)piperidine
CID 116987459
2-(2-cyclopentylphenyl)piperidine
CID 115005914
2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
CID 63738091
4-(azepan-2-yl)quinoline
CID 81147055
2-(1-benzothiophen-3-yl)-3-methylazetidine
CID 116822222
(2S)-2-phenylpiperidine
CID 10997356

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)piperidine?
The IUPAC name of 2-(1-benzothiophen-3-yl)piperidine (CID 4538625) is 2-(1-benzothiophen-3-yl)piperidine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)piperidine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)piperidine is c1ccc2c(C3CCCCN3)csc2c1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)piperidine?
The InChIKey is PWJFUNNDKMJJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-2-7-13-10(5-1)11(9-15-13)12-6-3-4-8-14-12/h1-2,5,7,9,12,14H,3-4,6,8H2.
What are the key properties of 2-(1-benzothiophen-3-yl)piperidine?
2-(1-benzothiophen-3-yl)piperidine has a molecular weight of 217.34 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)piperidine is sourced from PubChem (CID 4538625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).