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

C15H20FNS — CID 71189979

IUPAC4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine
SMILESCC1CC(C2CSc3cc(F)ccc32)CC(C)N1
InChIInChI=1S/C15H20FNS/c1-9-5-11(6-10(2)17-9)14-8-18-15-7-12(16)3-4-13(14)15/h3-4,7,9-11,14,17H,5-6,8H2,1-2H3
InChIKeyNVDVSXRLXREYQW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.79
Rot. Bonds1

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

4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine (PubChem CID 71189979) has the molecular formula C15H20FNS and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine
PubChem CID71189979
Molecular FormulaC15H20FNS
Molecular Weight265.40 g/mol
Exact Mass265.13
IUPAC Name4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine
SMILESCC1CC(C2CSc3cc(F)ccc32)CC(C)N1
InChIInChI=1S/C15H20FNS/c1-9-5-11(6-10(2)17-9)14-8-18-15-7-12(16)3-4-13(14)15/h3-4,7,9-11,14,17H,5-6,8H2,1-2H3
InChIKeyNVDVSXRLXREYQW-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.79
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)-2,6-dimethylpiperidine?
The IUPAC name of 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine (CID 71189979) is 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine?
The canonical SMILES for 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine is CC1CC(C2CSc3cc(F)ccc32)CC(C)N1.
What is the InChIKey of 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine?
The InChIKey is NVDVSXRLXREYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNS/c1-9-5-11(6-10(2)17-9)14-8-18-15-7-12(16)3-4-13(14)15/h3-4,7,9-11,14,17H,5-6,8H2,1-2H3.
What are the key properties of 4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine?
4-(6-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-2,6-dimethylpiperidine has a molecular weight of 265.40 g/mol, XLogP of 3.79, 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)-2,6-dimethylpiperidine is sourced from PubChem (CID 71189979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).