(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol

C25H23F3N2O2 — CID 45487673

IUPAC(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol
SMILESOC(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C25H23F3N2O2/c26-21-6-5-18(11-22(21)27)24(31)17-3-1-16(2-4-17)14-30-9-7-25(8-10-30)20-13-29-23(28)12-19(20)15-32-25/h1-6,11-13,24,31H,7-10,14-15H2
InChIKeyHTPPRDGEOSXUGA-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.60
Rot. Bonds4

About (3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol

(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol (PubChem CID 45487673) has the molecular formula C25H23F3N2O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol
PubChem CID45487673
Molecular FormulaC25H23F3N2O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol
SMILESOC(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C25H23F3N2O2/c26-21-6-5-18(11-22(21)27)24(31)17-3-1-16(2-4-17)14-30-9-7-25(8-10-30)20-13-29-23(28)12-19(20)15-32-25/h1-6,11-13,24,31H,7-10,14-15H2
InChIKeyHTPPRDGEOSXUGA-UHFFFAOYSA-N
XLogP4.60
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]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

SR2211
CID 51035449
(NZ)-N-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]hydroxylamine
CID 24762415
(Z)-1-(3,4-difluorophenyl)-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]-N-methoxymethanimine
CID 45487668
(Z)-1-(3,4-difluorophenyl)-N-ethoxy-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanimine
CID 45487671
(R)-6-(3-hydroxypropyl)-6-phenyl-3-((S)-1-(4-(pyridin-4-yl)phenyl)ethyl)-1,3-oxazinan-2-one
CID 58485355
(Z)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]methanimine
CID 45487674
(NE)-N-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]hydroxylamine
CID 44555375
(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanone
CID 45487647
(2R,3R,4R,5S)-1-[5-[[4-(2-fluoro-4-pyridinyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118411081
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-pyridin-4-ylphenyl)methoxy]pentyl]piperidine-3,4,5-triol
CID 118719916
(2R,3R,4R,5S)-1-[5-[[4-(6-fluoro-3-pyridinyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118719918
3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-pyridine
CID 10548223

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol (CID 45487673) is (3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol is OC(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol?
The InChIKey is HTPPRDGEOSXUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O2/c26-21-6-5-18(11-22(21)27)24(31)17-3-1-16(2-4-17)14-30-9-7-25(8-10-30)20-13-29-23(28)12-19(20)15-32-25/h1-6,11-13,24,31H,7-10,14-15H2.
What are the key properties of (3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol?
(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol has a molecular weight of 440.47 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanol is sourced from PubChem (CID 45487673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).