4-(6-methoxy-1-benzothiophen-3-yl)piperidine

C14H17NOS — CID 82374303

IUPAC4-(6-methoxy-1-benzothiophen-3-yl)piperidine
SMILESCOc1ccc2c(C3CCNCC3)csc2c1
InChIInChI=1S/C14H17NOS/c1-16-11-2-3-12-13(9-17-14(12)8-11)10-4-6-15-7-5-10/h2-3,8-10,15H,4-7H2,1H3
InChIKeyWZSLMKZDLKNLJT-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.38
Rot. Bonds2

About 4-(6-methoxy-1-benzothiophen-3-yl)piperidine

4-(6-methoxy-1-benzothiophen-3-yl)piperidine (PubChem CID 82374303) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-(6-methoxy-1-benzothiophen-3-yl)piperidine.

Molecular Properties

Compound Name4-(6-methoxy-1-benzothiophen-3-yl)piperidine
PubChem CID82374303
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name4-(6-methoxy-1-benzothiophen-3-yl)piperidine
SMILESCOc1ccc2c(C3CCNCC3)csc2c1
InChIInChI=1S/C14H17NOS/c1-16-11-2-3-12-13(9-17-14(12)8-11)10-4-6-15-7-5-10/h2-3,8-10,15H,4-7H2,1H3
InChIKeyWZSLMKZDLKNLJT-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-fluoro-1-benzothiophen-3-yl)piperidine
CID 10105486
4-(6-ethyl-1-benzothiophen-3-yl)piperidine
CID 18797308
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
4-(4-methoxy-2-methylphenyl)azepane
CID 83261173
4-[5-fluoro-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine
CID 11427529
3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911
6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 52983604
6-methoxy-3-piperidin-4-yl-1H-quinolin-2-one
CID 58181102
4-(5-methoxy-1-benzofuran-2-yl)piperidine;hydrochloride
CID 23312240
4-[2-(4-methoxyphenyl)phenyl]piperidine
CID 86226215
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
4-[5-methoxy-2-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine;2,2,2-trifluoroacetic acid
CID 158613641

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1-benzothiophen-3-yl)piperidine?
The IUPAC name of 4-(6-methoxy-1-benzothiophen-3-yl)piperidine (CID 82374303) is 4-(6-methoxy-1-benzothiophen-3-yl)piperidine.
What is the SMILES notation for 4-(6-methoxy-1-benzothiophen-3-yl)piperidine?
The canonical SMILES for 4-(6-methoxy-1-benzothiophen-3-yl)piperidine is COc1ccc2c(C3CCNCC3)csc2c1.
What is the InChIKey of 4-(6-methoxy-1-benzothiophen-3-yl)piperidine?
The InChIKey is WZSLMKZDLKNLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-16-11-2-3-12-13(9-17-14(12)8-11)10-4-6-15-7-5-10/h2-3,8-10,15H,4-7H2,1H3.
What are the key properties of 4-(6-methoxy-1-benzothiophen-3-yl)piperidine?
4-(6-methoxy-1-benzothiophen-3-yl)piperidine has a molecular weight of 247.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1-benzothiophen-3-yl)piperidine is sourced from PubChem (CID 82374303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).