[(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol

C20H23ClFNO2S — CID 169138583

IUPAC[(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol
SMILESC[C@H]1C[C@@]2(CCN1Cc1cccc(F)c1)OCCc1c2sc(Cl)c1CO
InChIInChI=1S/C20H23ClFNO2S/c1-13-10-20(6-7-23(13)11-14-3-2-4-15(22)9-14)18-16(5-8-25-20)17(12-24)19(21)26-18/h2-4,9,13,24H,5-8,10-12H2,1H3/t13-,20+/m0/s1
InChIKeyLJRNGEJVTZPKOX-RNODOKPDSA-N
MW395.93 g/mol
LogP4.49
Rot. Bonds3

About [(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol

[(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol (PubChem CID 169138583) has the molecular formula C20H23ClFNO2S and a molecular weight of 395.93 g/mol. Its IUPAC name is [(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol.

Molecular Properties

Compound Name[(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol
PubChem CID169138583
Molecular FormulaC20H23ClFNO2S
Molecular Weight395.93 g/mol
Exact Mass395.11
IUPAC Name[(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol
SMILESC[C@H]1C[C@@]2(CCN1Cc1cccc(F)c1)OCCc1c2sc(Cl)c1CO
InChIInChI=1S/C20H23ClFNO2S/c1-13-10-20(6-7-23(13)11-14-3-2-4-15(22)9-14)18-16(5-8-25-20)17(12-24)19(21)26-18/h2-4,9,13,24H,5-8,10-12H2,1H3/t13-,20+/m0/s1
InChIKeyLJRNGEJVTZPKOX-RNODOKPDSA-N
XLogP4.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-Benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25164279
1-(3,4-difluorophenyl)-2-[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]ethanol
CID 169138518
(2'S,7R)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169138597
2-Chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169138674
[(2'S,7R)-2-chloro-1'-[(4-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol
CID 169138703
(2'S,7R)-2-chloro-1'-[(4-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169138817
2-[[(2'S,7R)-2-chloro-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-6-fluorophenol
CID 169138854
2-[(2'S)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1-(4-fluorophenyl)ethanol
CID 169138911
2-[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1-(4-fluorophenyl)ethanol
CID 169138935
[(2'S,7R)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol
CID 169138969
2-(2-Ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol
CID 169139017
(2'S,4R,7R)-2-chloro-1'-[(3,5-difluoro-2-hydroxyphenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 169139205

Frequently Asked Questions

What is the IUPAC name of [(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol?
The IUPAC name of [(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol (CID 169138583) is [(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol.
What is the SMILES notation for [(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol?
The canonical SMILES for [(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol is C[C@H]1C[C@@]2(CCN1Cc1cccc(F)c1)OCCc1c2sc(Cl)c1CO.
What is the InChIKey of [(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol?
The InChIKey is LJRNGEJVTZPKOX-RNODOKPDSA-N. The full InChI is InChI=1S/C20H23ClFNO2S/c1-13-10-20(6-7-23(13)11-14-3-2-4-15(22)9-14)18-16(5-8-25-20)17(12-24)19(21)26-18/h2-4,9,13,24H,5-8,10-12H2,1H3/t13-,20+/m0/s1.
What are the key properties of [(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol?
[(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol has a molecular weight of 395.93 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol is sourced from PubChem (CID 169138583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).