3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]

C25H21Cl2F3N2O2 — CID 57397049

IUPAC3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]
SMILESFC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)cc(Cl)c2)c2cnccc23)cc1
InChIInChI=1S/C25H21Cl2F3N2O2/c26-18-11-17(12-19(27)13-18)23-21-14-31-8-5-22(21)24(34-23)6-9-32(10-7-24)15-16-1-3-20(4-2-16)33-25(28,29)30/h1-5,8,11-14,23H,6-7,9-10,15H2
InChIKeyUZOKWTAIZMGZBS-UHFFFAOYSA-N
MW509.36 g/mol
LogP6.90
Rot. Bonds4

About 3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]

3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine] (PubChem CID 57397049) has the molecular formula C25H21Cl2F3N2O2 and a molecular weight of 509.36 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine].

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]
PubChem CID57397049
Molecular FormulaC25H21Cl2F3N2O2
Molecular Weight509.36 g/mol
Exact Mass508.09
IUPAC Name3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]
SMILESFC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)cc(Cl)c2)c2cnccc23)cc1
InChIInChI=1S/C25H21Cl2F3N2O2/c26-18-11-17(12-19(27)13-18)23-21-14-31-8-5-22(21)24(34-23)6-9-32(10-7-24)15-16-1-3-20(4-2-16)33-25(28,29)30/h1-5,8,11-14,23H,6-7,9-10,15H2
InChIKeyUZOKWTAIZMGZBS-UHFFFAOYSA-N
XLogP6.90
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.36
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]?
The IUPAC name of 3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine] (CID 57397049) is 3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine].
What is the SMILES notation for 3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]?
The canonical SMILES for 3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine] is FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)cc(Cl)c2)c2cnccc23)cc1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]?
The InChIKey is UZOKWTAIZMGZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2F3N2O2/c26-18-11-17(12-19(27)13-18)23-21-14-31-8-5-22(21)24(34-23)6-9-32(10-7-24)15-16-1-3-20(4-2-16)33-25(28,29)30/h1-5,8,11-14,23H,6-7,9-10,15H2.
What are the key properties of 3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]?
3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine] has a molecular weight of 509.36 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine] is sourced from PubChem (CID 57397049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).