4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine

C13H16FNS — CID 70860726

IUPAC4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine
SMILESFc1ccc2c(c1)SCC2C1CCNCC1
InChIInChI=1S/C13H16FNS/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-2,7,9,12,15H,3-6,8H2
InChIKeyFETKXEDHHTXVDH-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.01
Rot. Bonds1

About 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine

4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine (PubChem CID 70860726) has the molecular formula C13H16FNS and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine
PubChem CID70860726
Molecular FormulaC13H16FNS
Molecular Weight237.34 g/mol
Exact Mass237.10
IUPAC Name4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine
SMILESFc1ccc2c(c1)SCC2C1CCNCC1
InChIInChI=1S/C13H16FNS/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-2,7,9,12,15H,3-6,8H2
InChIKeyFETKXEDHHTXVDH-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
The IUPAC name of 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine (CID 70860726) is 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
The canonical SMILES for 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine is Fc1ccc2c(c1)SCC2C1CCNCC1.
What is the InChIKey of 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
The InChIKey is FETKXEDHHTXVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNS/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-2,7,9,12,15H,3-6,8H2.
What are the key properties of 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine?
4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine has a molecular weight of 237.34 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)piperidine is sourced from PubChem (CID 70860726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).