1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C19H22FNO2S — CID 25129862

IUPAC1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCN(Cc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C19H22FNO2S/c1-22-18-12-17-16(6-11-24-17)19(23-18)7-9-21(10-8-19)13-14-2-4-15(20)5-3-14/h2-6,11,18H,7-10,12-13H2,1H3
InChIKeyHMUZHWZEQUYOQA-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.92
Rot. Bonds3

About 1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 25129862) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID25129862
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCN(Cc3ccc(F)cc3)CC2)O1
InChIInChI=1S/C19H22FNO2S/c1-22-18-12-17-16(6-11-24-17)19(23-18)7-9-21(10-8-19)13-14-2-4-15(20)5-3-14/h2-6,11,18H,7-10,12-13H2,1H3
InChIKeyHMUZHWZEQUYOQA-UHFFFAOYSA-N
XLogP3.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 25129862) is 1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is COC1Cc2sccc2C2(CCN(Cc3ccc(F)cc3)CC2)O1.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is HMUZHWZEQUYOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-22-18-12-17-16(6-11-24-17)19(23-18)7-9-21(10-8-19)13-14-2-4-15(20)5-3-14/h2-6,11,18H,7-10,12-13H2,1H3.
What are the key properties of 1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 347.46 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 25129862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).