2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol

C25H24Cl2N2O2 — CID 57397051

IUPAC2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol
SMILESOCC(c1ccccc1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12
InChIInChI=1S/C25H24Cl2N2O2/c26-19-13-18(14-20(27)15-19)23-21-7-4-10-28-24(21)25(31-23)8-11-29(12-9-25)22(16-30)17-5-2-1-3-6-17/h1-7,10,13-15,22-23,30H,8-9,11-12,16H2
InChIKeyAVTPDXSBHVFETK-UHFFFAOYSA-N
MW455.39 g/mol
LogP5.53
Rot. Bonds4

About 2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol

2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol (PubChem CID 57397051) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is 2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol.

Molecular Properties

Compound Name2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol
PubChem CID57397051
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC Name2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol
SMILESOCC(c1ccccc1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12
InChIInChI=1S/C25H24Cl2N2O2/c26-19-13-18(14-20(27)15-19)23-21-7-4-10-28-24(21)25(31-23)8-11-29(12-9-25)22(16-30)17-5-2-1-3-6-17/h1-7,10,13-15,22-23,30H,8-9,11-12,16H2
InChIKeyAVTPDXSBHVFETK-UHFFFAOYSA-N
XLogP5.53
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol?
The IUPAC name of 2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol (CID 57397051) is 2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol.
What is the SMILES notation for 2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol?
The canonical SMILES for 2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol is OCC(c1ccccc1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12.
What is the InChIKey of 2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol?
The InChIKey is AVTPDXSBHVFETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O2/c26-19-13-18(14-20(27)15-19)23-21-7-4-10-28-24(21)25(31-23)8-11-29(12-9-25)22(16-30)17-5-2-1-3-6-17/h1-7,10,13-15,22-23,30H,8-9,11-12,16H2.
What are the key properties of 2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol?
2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol has a molecular weight of 455.39 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol is sourced from PubChem (CID 57397051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).