1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C19H23NOS — CID 59419578

IUPAC1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H23NOS/c1-15-13-18-17(7-12-22-18)19(21-15)8-10-20(11-9-19)14-16-5-3-2-4-6-16/h2-7,12,15H,8-11,13-14H2,1H3
InChIKeyODUWODQKLRKODT-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.20
Rot. Bonds2

About 1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 59419578) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID59419578
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H23NOS/c1-15-13-18-17(7-12-22-18)19(21-15)8-10-20(11-9-19)14-16-5-3-2-4-6-16/h2-7,12,15H,8-11,13-14H2,1H3
InChIKeyODUWODQKLRKODT-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 59419578) is 1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is ODUWODQKLRKODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-15-13-18-17(7-12-22-18)19(21-15)8-10-20(11-9-19)14-16-5-3-2-4-6-16/h2-7,12,15H,8-11,13-14H2,1H3.
What are the key properties of 1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 313.47 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-6-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 59419578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).