4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

C20H28F3N3O — CID 69192086

IUPAC4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CCC3(CCN(c4ncccc4C(F)(F)F)CC3)C2)CC1
InChIInChI=1S/C20H28F3N3O/c21-20(22,23)17-2-1-10-24-18(17)25-11-7-19(8-12-25)9-13-26(14-19)15-3-5-16(27)6-4-15/h1-2,10,15-16,27H,3-9,11-14H2
InChIKeyGKOZLVUWBWEEAA-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.70
Rot. Bonds2

About 4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (PubChem CID 69192086) has the molecular formula C20H28F3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
PubChem CID69192086
Molecular FormulaC20H28F3N3O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC Name4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CCC3(CCN(c4ncccc4C(F)(F)F)CC3)C2)CC1
InChIInChI=1S/C20H28F3N3O/c21-20(22,23)17-2-1-10-24-18(17)25-11-7-19(8-12-25)9-13-26(14-19)15-3-5-16(27)6-4-15/h1-2,10,15-16,27H,3-9,11-14H2
InChIKeyGKOZLVUWBWEEAA-UHFFFAOYSA-N
XLogP3.70
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

4-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]azepan-4-ol
CID 107407458
1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 172899349
3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 107325193
4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69161071
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
(1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896094
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
7-[1-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2λ4-thia-7-azaspiro[3.4]octane 2-oxide
CID 168907353
4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69492776
4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 87856620
2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 175941093

Frequently Asked Questions

What is the IUPAC name of 4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (CID 69192086) is 4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is OC1CCC(N2CCC3(CCN(c4ncccc4C(F)(F)F)CC3)C2)CC1.
What is the InChIKey of 4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The InChIKey is GKOZLVUWBWEEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O/c21-20(22,23)17-2-1-10-24-18(17)25-11-7-19(8-12-25)9-13-26(14-19)15-3-5-16(27)6-4-15/h1-2,10,15-16,27H,3-9,11-14H2.
What are the key properties of 4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol has a molecular weight of 383.46 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 69192086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).