6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane

C13H15F3N2 — CID 162745967

IUPAC6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)c1ccc(CC2CC3(CNC3)C2)cn1
InChIInChI=1S/C13H15F3N2/c14-13(15,16)11-2-1-9(6-18-11)3-10-4-12(5-10)7-17-8-12/h1-2,6,10,17H,3-5,7-8H2
InChIKeyYCXCPSWUDIXSOH-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.64
Rot. Bonds2

About 6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane

6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane (PubChem CID 162745967) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane
PubChem CID162745967
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)c1ccc(CC2CC3(CNC3)C2)cn1
InChIInChI=1S/C13H15F3N2/c14-13(15,16)11-2-1-9(6-18-11)3-10-4-12(5-10)7-17-8-12/h1-2,6,10,17H,3-5,7-8H2
InChIKeyYCXCPSWUDIXSOH-UHFFFAOYSA-N
XLogP2.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-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

Related Compounds

6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 170785032
5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
CID 170784695
6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 170785120
6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane
CID 175711466
[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]-methylidene-oxo-(trifluoromethyl)-λ6-sulfane
CID 177182594
6-[[6-(1,1-difluoroethyl)pyridazin-3-yl]methyl]-2-azaspiro[3.3]heptane
CID 169105363
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane
CID 175919334
6-[[5-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane
CID 170785065
5-[(4-fluoropiperidin-4-yl)methyl]-2-(trifluoromethyl)pyridine
CID 163385601
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane (CID 162745967) is 6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane is FC(F)(F)c1ccc(CC2CC3(CNC3)C2)cn1.
What is the InChIKey of 6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane?
The InChIKey is YCXCPSWUDIXSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c14-13(15,16)11-2-1-9(6-18-11)3-10-4-12(5-10)7-17-8-12/h1-2,6,10,17H,3-5,7-8H2.
What are the key properties of 6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane?
6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane has a molecular weight of 256.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 162745967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).