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

C27H28Cl2N2O2 — CID 57400494

IUPAC1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol
SMILESCC(C)(O)C(c1ccccc1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12
InChIInChI=1S/C27H28Cl2N2O2/c1-26(2,32)25(18-7-4-3-5-8-18)31-13-10-27(11-14-31)24-22(9-6-12-30-24)23(33-27)19-15-20(28)17-21(29)16-19/h3-9,12,15-17,23,25,32H,10-11,13-14H2,1-2H3
InChIKeyXJMQOWXJYZSINU-UHFFFAOYSA-N
MW483.44 g/mol
LogP6.31
Rot. Bonds4

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

1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol (PubChem CID 57400494) has the molecular formula C27H28Cl2N2O2 and a molecular weight of 483.44 g/mol. Its IUPAC name is 1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol
PubChem CID57400494
Molecular FormulaC27H28Cl2N2O2
Molecular Weight483.44 g/mol
Exact Mass482.15
IUPAC Name1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol
SMILESCC(C)(O)C(c1ccccc1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12
InChIInChI=1S/C27H28Cl2N2O2/c1-26(2,32)25(18-7-4-3-5-8-18)31-13-10-27(11-14-31)24-22(9-6-12-30-24)23(33-27)19-15-20(28)17-21(29)16-19/h3-9,12,15-17,23,25,32H,10-11,13-14H2,1-2H3
InChIKeyXJMQOWXJYZSINU-UHFFFAOYSA-N
XLogP6.31
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol?
The IUPAC name of 1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol (CID 57400494) is 1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol.
What is the SMILES notation for 1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol?
The canonical SMILES for 1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol is CC(C)(O)C(c1ccccc1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12.
What is the InChIKey of 1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol?
The InChIKey is XJMQOWXJYZSINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N2O2/c1-26(2,32)25(18-7-4-3-5-8-18)31-13-10-27(11-14-31)24-22(9-6-12-30-24)23(33-27)19-15-20(28)17-21(29)16-19/h3-9,12,15-17,23,25,32H,10-11,13-14H2,1-2H3.
What are the key properties of 1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol?
1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol has a molecular weight of 483.44 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-methyl-1-phenylpropan-2-ol is sourced from PubChem (CID 57400494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).