(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol

C20H25NO3S — CID 25164282

IUPAC(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol
SMILESCOC1Cc2sc(CO)cc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C20H25NO3S/c1-23-19-12-18-17(11-16(14-22)25-18)20(24-19)7-9-21(10-8-20)13-15-5-3-2-4-6-15/h2-6,11,19,22H,7-10,12-14H2,1H3
InChIKeyAQFKRSCFWQXDAD-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.28
Rot. Bonds4

About (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol

(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol (PubChem CID 25164282) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol.

Molecular Properties

Compound Name(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol
PubChem CID25164282
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol
SMILESCOC1Cc2sc(CO)cc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C20H25NO3S/c1-23-19-12-18-17(11-16(14-22)25-18)20(24-19)7-9-21(10-8-20)13-15-5-3-2-4-6-15/h2-6,11,19,22H,7-10,12-14H2,1H3
InChIKeyAQFKRSCFWQXDAD-UHFFFAOYSA-N
XLogP3.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129510
6-Methoxy-1-(3-methylbutyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129512
1-(4-Fluorobenzyl)-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129862
6-Methoxy-1-(3-methylbut-2-enyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129863
1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2c]pyran]
CID 25129867
1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25167087
[(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
(6R)-1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798743
(6R)-6-methoxy-1'-(3-methylbut-2-enyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798744
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

Frequently Asked Questions

What is the IUPAC name of (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol?
The IUPAC name of (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol (CID 25164282) is (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol.
What is the SMILES notation for (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol?
The canonical SMILES for (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol is COC1Cc2sc(CO)cc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol?
The InChIKey is AQFKRSCFWQXDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-23-19-12-18-17(11-16(14-22)25-18)20(24-19)7-9-21(10-8-20)13-15-5-3-2-4-6-15/h2-6,11,19,22H,7-10,12-14H2,1H3.
What are the key properties of (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol?
(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol has a molecular weight of 359.49 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol is sourced from PubChem (CID 25164282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).