1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C18H20FNOS — CID 134817057

IUPAC1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESFc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C18H20FNOS/c19-16-3-1-14(2-4-16)13-20-9-7-18(8-10-20)17-15(5-11-21-18)6-12-22-17/h1-4,6,12H,5,7-11,13H2
InChIKeyJNAFWPYXYMWBGD-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.95
Rot. Bonds2

About 1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 134817057) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID134817057
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESFc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C18H20FNOS/c19-16-3-1-14(2-4-16)13-20-9-7-18(8-10-20)17-15(5-11-21-18)6-12-22-17/h1-4,6,12H,5,7-11,13H2
InChIKeyJNAFWPYXYMWBGD-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 134817057) is 1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is Fc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is JNAFWPYXYMWBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c19-16-3-1-14(2-4-16)13-20-9-7-18(8-10-20)17-15(5-11-21-18)6-12-22-17/h1-4,6,12H,5,7-11,13H2.
What are the key properties of 1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 317.43 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 134817057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).