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

C19H23NOS — CID 134816984

IUPAC1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C19H23NOS/c1-15-2-4-16(5-3-15)14-20-10-8-19(9-11-20)18-17(6-12-21-19)7-13-22-18/h2-5,7,13H,6,8-12,14H2,1H3
InChIKeyXSDFEHMWOGJDMD-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.12
Rot. Bonds2

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

1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 134816984) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID134816984
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C19H23NOS/c1-15-2-4-16(5-3-15)14-20-10-8-19(9-11-20)18-17(6-12-21-19)7-13-22-18/h2-5,7,13H,6,8-12,14H2,1H3
InChIKeyXSDFEHMWOGJDMD-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129510
1-(4-Fluorobenzyl)-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129862
1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25167087
1-(Cyclohexylmethyl)-6'',7''-dihydrospiro[piperidine-4,4''-thieno[3,2-c]pyran]
CID 25167287
[(6R)-1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl]methanol
CID 49798707
(6R)-1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798740
1-[(6S)-1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl]propan-2-one
CID 49798756
1'-Benzylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651522
1'-Benzyl-6-methoxyspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651523
1'-Benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56652221
1'-Benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676937
6-Methoxy-1-(2-phenylethyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyrane]
CID 25129866

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 134816984) is 1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is Cc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1.
What is the InChIKey of 1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is XSDFEHMWOGJDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-15-2-4-16(5-3-15)14-20-10-8-19(9-11-20)18-17(6-12-21-19)7-13-22-18/h2-5,7,13H,6,8-12,14H2,1H3.
What are the key properties of 1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 313.47 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-methylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 134816984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).