4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine

C14H19NOS — CID 178102621

IUPAC4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine
SMILESCOc1ccc2c(c1)C(C1CCNCC1)CS2
InChIInChI=1S/C14H19NOS/c1-16-11-2-3-14-12(8-11)13(9-17-14)10-4-6-15-7-5-10/h2-3,8,10,13,15H,4-7,9H2,1H3
InChIKeyCMSYXEOHCWAYFM-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.88
Rot. Bonds2

About 4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine

4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine (PubChem CID 178102621) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine.

Molecular Properties

Compound Name4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine
PubChem CID178102621
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine
SMILESCOc1ccc2c(c1)C(C1CCNCC1)CS2
InChIInChI=1S/C14H19NOS/c1-16-11-2-3-14-12(8-11)13(9-17-14)10-4-6-15-7-5-10/h2-3,8,10,13,15H,4-7,9H2,1H3
InChIKeyCMSYXEOHCWAYFM-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
The IUPAC name of 4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine (CID 178102621) is 4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine.
What is the SMILES notation for 4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
The canonical SMILES for 4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine is COc1ccc2c(c1)C(C1CCNCC1)CS2.
What is the InChIKey of 4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
The InChIKey is CMSYXEOHCWAYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-16-11-2-3-14-12(8-11)13(9-17-14)10-4-6-15-7-5-10/h2-3,8,10,13,15H,4-7,9H2,1H3.
What are the key properties of 4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine has a molecular weight of 249.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)piperidine is sourced from PubChem (CID 178102621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).