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

C21H26FNO2S — CID 169139017

IUPAC2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol
SMILESCCc1cc2c(s1)CCOC21CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FNO2S/c1-2-17-13-18-20(26-17)7-12-25-21(18)8-10-23(11-9-21)14-19(24)15-3-5-16(22)6-4-15/h3-6,13,19,24H,2,7-12,14H2,1H3
InChIKeyFRSXAJRBEHVWLL-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.05
Rot. Bonds4

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

2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol (PubChem CID 169139017) has the molecular formula C21H26FNO2S and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol
PubChem CID169139017
Molecular FormulaC21H26FNO2S
Molecular Weight375.51 g/mol
Exact Mass375.17
IUPAC Name2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol
SMILESCCc1cc2c(s1)CCOC21CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FNO2S/c1-2-17-13-18-20(26-17)7-12-25-21(18)8-10-23(11-9-21)14-19(24)15-3-5-16(22)6-4-15/h3-6,13,19,24H,2,7-12,14H2,1H3
InChIKeyFRSXAJRBEHVWLL-UHFFFAOYSA-N
XLogP4.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol with MolForge

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Related Compounds

Tiemonium Iodide
CID 72142
Tiemonium methosulfate
CID 151420
[(6R)-1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl]methanol
CID 49798707
1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine
CID 25164276
(1'-Benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)methanol
CID 25164282
2-(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanol
CID 25167288
(1'-Benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol
CID 59419573
(1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol
CID 59419574
2-[4-(2-Thienyl)phenyl]-4-methylmorpholin-2-ol
CID 25108103
3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-thiophen-2-yl-propan-1-ol
CID 44278406
3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-thiophen-2-yl-propan-1-ol
CID 44278407
(R)-[(6R)-1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl]-phenylmethanol
CID 49798704

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol (CID 169139017) is 2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol is CCc1cc2c(s1)CCOC21CCN(CC(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol?
The InChIKey is FRSXAJRBEHVWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO2S/c1-2-17-13-18-20(26-17)7-12-25-21(18)8-10-23(11-9-21)14-19(24)15-3-5-16(22)6-4-15/h3-6,13,19,24H,2,7-12,14H2,1H3.
What are the key properties of 2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol?
2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol has a molecular weight of 375.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 169139017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).