1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]

C18H23F3N2O — CID 23467201

IUPAC1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
SMILESFC(F)(F)c1cccc(C2OC3(CCNCC3)N3CCCCC23)c1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)14-5-3-4-13(12-14)16-15-6-1-2-11-23(15)17(24-16)7-9-22-10-8-17/h3-5,12,15-16,22H,1-2,6-11H2
InChIKeyNABACACDKRHZAU-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.71
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]

1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] (PubChem CID 23467201) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine].

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
PubChem CID23467201
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
SMILESFC(F)(F)c1cccc(C2OC3(CCNCC3)N3CCCCC23)c1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)14-5-3-4-13(12-14)16-15-6-1-2-11-23(15)17(24-16)7-9-22-10-8-17/h3-5,12,15-16,22H,1-2,6-11H2
InChIKeyNABACACDKRHZAU-UHFFFAOYSA-N
XLogP3.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] (CID 23467201) is 1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine].
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] is FC(F)(F)c1cccc(C2OC3(CCNCC3)N3CCCCC23)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
The InChIKey is NABACACDKRHZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c19-18(20,21)14-5-3-4-13(12-14)16-15-6-1-2-11-23(15)17(24-16)7-9-22-10-8-17/h3-5,12,15-16,22H,1-2,6-11H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]?
1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] has a molecular weight of 340.39 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]spiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine] is sourced from PubChem (CID 23467201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).