6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane

C15H17F3N2O — CID 177182596

IUPAC6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)C1(c2cncc(OC3CC4(CNC4)C3)c2)CC1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)14(1-2-14)10-3-11(7-19-6-10)21-12-4-13(5-12)8-20-9-13/h3,6-7,12,20H,1-2,4-5,8-9H2
InChIKeyHEBWNTQZANHCFP-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.81
Rot. Bonds3

About 6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane

6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane (PubChem CID 177182596) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane
PubChem CID177182596
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)C1(c2cncc(OC3CC4(CNC4)C3)c2)CC1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)14(1-2-14)10-3-11(7-19-6-10)21-12-4-13(5-12)8-20-9-13/h3,6-7,12,20H,1-2,4-5,8-9H2
InChIKeyHEBWNTQZANHCFP-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane 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 6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane (CID 177182596) is 6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane is FC(F)(F)C1(c2cncc(OC3CC4(CNC4)C3)c2)CC1.
What is the InChIKey of 6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane?
The InChIKey is HEBWNTQZANHCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c16-15(17,18)14(1-2-14)10-3-11(7-19-6-10)21-12-4-13(5-12)8-20-9-13/h3,6-7,12,20H,1-2,4-5,8-9H2.
What are the key properties of 6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane?
6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane has a molecular weight of 298.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]oxy]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 177182596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).