(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol

C23H26FNO3 — CID 58198841

IUPAC(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C23H26FNO3/c24-19-7-4-16(5-8-19)22(26)17-6-9-21-18(14-17)15-27-23(28-21)10-12-25(13-11-23)20-2-1-3-20/h4-9,14,20,22,26H,1-3,10-13,15H2
InChIKeyVFVJIZCZRHEJCX-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.16
Rot. Bonds3

About (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol

(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol (PubChem CID 58198841) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol
PubChem CID58198841
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C23H26FNO3/c24-19-7-4-16(5-8-19)22(26)17-6-9-21-18(14-17)15-27-23(28-21)10-12-25(13-11-23)20-2-1-3-20/h4-9,14,20,22,26H,1-3,10-13,15H2
InChIKeyVFVJIZCZRHEJCX-UHFFFAOYSA-N
XLogP4.16
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-3,4-dihydro-2H-chromene-4,7-diol
CID 9798915
(3R,4R)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
CID 9840930
CP-283097
CID 9841576
(3R,4S)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
CID 9927950
(3R,4S)-3-(4-(4-Fluorophenyl)-4-hydroxypiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
CID 10021362
(3R,4S)-6-fluoro-3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-3,4-dihydro-2H-chromene-4,7-diol
CID 10523630
(3S,4R)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
CID 10735988
(3R,4S)-3-[4-hydroxy-4-(2-phenylethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-4,7-diol
CID 10809120
(3R,4S)-3-(4-benzylpiperidin-1-yl)-3,4-dihydro-2H-chromene-4,7-diol
CID 10854580
4-(4-fluorophenyl)-1-[(3R,4S)-4-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-ol
CID 11793725
9H-Xanthene-2,7-dimethanol, alpha,alpha'-bis(3-(diethylamino)propyl)-
CID 515406
4-(4-Fluoro-phenyl)-1-((S)-7-hydroxy-chroman-3-yl)-piperidin-4-ol
CID 44271776

Frequently Asked Questions

What is the IUPAC name of (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol?
The IUPAC name of (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol (CID 58198841) is (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol?
The canonical SMILES for (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2.
What is the InChIKey of (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol?
The InChIKey is VFVJIZCZRHEJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c24-19-7-4-16(5-8-19)22(26)17-6-9-21-18(14-17)15-27-23(28-21)10-12-25(13-11-23)20-2-1-3-20/h4-9,14,20,22,26H,1-3,10-13,15H2.
What are the key properties of (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol?
(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol has a molecular weight of 383.46 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 58198841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).