2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol

C20H25NO2S — CID 25167288

IUPAC2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol
SMILESOCCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C20H25NO2S/c22-12-6-17-14-19-18(7-13-24-19)20(23-17)8-10-21(11-9-20)15-16-4-2-1-3-5-16/h1-5,7,13,17,22H,6,8-12,14-15H2
InChIKeyPXEFDQVJBIBEJQ-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.56
Rot. Bonds4

About 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol

2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol (PubChem CID 25167288) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol.

Molecular Properties

Compound Name2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol
PubChem CID25167288
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol
SMILESOCCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C20H25NO2S/c22-12-6-17-14-19-18(7-13-24-19)20(23-17)8-10-21(11-9-20)15-16-4-2-1-3-5-16/h1-5,7,13,17,22H,6,8-12,14-15H2
InChIKeyPXEFDQVJBIBEJQ-UHFFFAOYSA-N
XLogP3.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol?
The IUPAC name of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol (CID 25167288) is 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol.
What is the SMILES notation for 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol?
The canonical SMILES for 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol is OCCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol?
The InChIKey is PXEFDQVJBIBEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c22-12-6-17-14-19-18(7-13-24-19)20(23-17)8-10-21(11-9-20)15-16-4-2-1-3-5-16/h1-5,7,13,17,22H,6,8-12,14-15H2.
What are the key properties of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol?
2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol has a molecular weight of 343.49 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol is sourced from PubChem (CID 25167288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).