3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane

C16H21F3N2 — CID 91080290

IUPAC3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane
SMILESCC1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C16H21F3N2/c1-12-2-4-15(11-12)5-8-21(9-6-15)13-3-7-20-14(10-13)16(17,18)19/h3,7,10,12H,2,4-6,8-9,11H2,1H3
InChIKeyHQVBQZJDICLJFW-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.51
Rot. Bonds1

About 3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane

3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane (PubChem CID 91080290) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane
PubChem CID91080290
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane
SMILESCC1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C16H21F3N2/c1-12-2-4-15(11-12)5-8-21(9-6-15)13-3-7-20-14(10-13)16(17,18)19/h3,7,10,12H,2,4-6,8-9,11H2,1H3
InChIKeyHQVBQZJDICLJFW-UHFFFAOYSA-N
XLogP4.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 66700967
N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
CID 118054993
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
CID 160639767
CID 160639767
(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 155974206
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
4-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]morpholine
CID 171691128
[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 166604813
2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol
CID 171701811
tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
1-(2,2-difluoroethyl)-6-[7-[2-(trifluoromethyl)-4-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]pyrazolo[4,5-d]pyrimidin-7-one
CID 178013228

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane?
The IUPAC name of 3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane (CID 91080290) is 3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane?
The canonical SMILES for 3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane is CC1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of 3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane?
The InChIKey is HQVBQZJDICLJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-12-2-4-15(11-12)5-8-21(9-6-15)13-3-7-20-14(10-13)16(17,18)19/h3,7,10,12H,2,4-6,8-9,11H2,1H3.
What are the key properties of 3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane?
3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane has a molecular weight of 298.35 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 91080290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).