2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C19H22FNOS — CID 169137689

IUPAC2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1cc2c(s1)CCOC21CCNC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FNOS/c1-2-15-11-16-18(23-15)7-10-22-19(16)8-9-21-17(12-19)13-3-5-14(20)6-4-13/h3-6,11,17,21H,2,7-10,12H2,1H3
InChIKeyXQNJEGXLGAKJRF-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.34
Rot. Bonds2

About 2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 169137689) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID169137689
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1cc2c(s1)CCOC21CCNC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FNOS/c1-2-15-11-16-18(23-15)7-10-22-19(16)8-9-21-17(12-19)13-3-5-14(20)6-4-13/h3-6,11,17,21H,2,7-10,12H2,1H3
InChIKeyXQNJEGXLGAKJRF-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 169137689) is 2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is CCc1cc2c(s1)CCOC21CCNC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is XQNJEGXLGAKJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-2-15-11-16-18(23-15)7-10-22-19(16)8-9-21-17(12-19)13-3-5-14(20)6-4-13/h3-6,11,17,21H,2,7-10,12H2,1H3.
What are the key properties of 2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 331.46 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2'-(4-fluorophenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 169137689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).