(2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine

C15H20FNS — CID 178102527

IUPAC(2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine
SMILESCN1CCCC[C@@H]1C[C@@H]1CSc2ccc(F)cc21
InChIInChI=1S/C15H20FNS/c1-17-7-3-2-4-13(17)8-11-10-18-15-6-5-12(16)9-14(11)15/h5-6,9,11,13H,2-4,7-8,10H2,1H3/t11-,13-/m1/s1
InChIKeyCAYROUFWWLGJOC-DGCLKSJQSA-N
MW265.40 g/mol
LogP3.89
Rot. Bonds2

About (2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine

(2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine (PubChem CID 178102527) has the molecular formula C15H20FNS and a molecular weight of 265.40 g/mol. Its IUPAC name is (2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name(2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine
PubChem CID178102527
Molecular FormulaC15H20FNS
Molecular Weight265.40 g/mol
Exact Mass265.13
IUPAC Name(2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine
SMILESCN1CCCC[C@@H]1C[C@@H]1CSc2ccc(F)cc21
InChIInChI=1S/C15H20FNS/c1-17-7-3-2-4-13(17)8-11-10-18-15-6-5-12(16)9-14(11)15/h5-6,9,11,13H,2-4,7-8,10H2,1H3/t11-,13-/m1/s1
InChIKeyCAYROUFWWLGJOC-DGCLKSJQSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine?
The IUPAC name of (2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine (CID 178102527) is (2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine.
What is the SMILES notation for (2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine?
The canonical SMILES for (2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine is CN1CCCC[C@@H]1C[C@@H]1CSc2ccc(F)cc21.
What is the InChIKey of (2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine?
The InChIKey is CAYROUFWWLGJOC-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H20FNS/c1-17-7-3-2-4-13(17)8-11-10-18-15-6-5-12(16)9-14(11)15/h5-6,9,11,13H,2-4,7-8,10H2,1H3/t11-,13-/m1/s1.
What are the key properties of (2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine?
(2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine has a molecular weight of 265.40 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-5-fluoro-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpiperidine is sourced from PubChem (CID 178102527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).