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

C19H23NO2S — CID 134816985

IUPAC1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCOc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C19H23NO2S/c1-21-17-4-2-15(3-5-17)14-20-10-8-19(9-11-20)18-16(6-12-22-19)7-13-23-18/h2-5,7,13H,6,8-12,14H2,1H3
InChIKeyIIVPTRYMBLMQEL-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.82
Rot. Bonds3

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

1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 134816985) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is 1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID134816985
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC Name1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCOc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C19H23NO2S/c1-21-17-4-2-15(3-5-17)14-20-10-8-19(9-11-20)18-16(6-12-22-19)7-13-23-18/h2-5,7,13H,6,8-12,14H2,1H3
InChIKeyIIVPTRYMBLMQEL-UHFFFAOYSA-N
XLogP3.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 134816985) is 1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is COc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1.
What is the InChIKey of 1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is IIVPTRYMBLMQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-21-17-4-2-15(3-5-17)14-20-10-8-19(9-11-20)18-16(6-12-22-19)7-13-23-18/h2-5,7,13H,6,8-12,14H2,1H3.
What are the key properties of 1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 329.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-methoxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 134816985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).