2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane

C21H46F2N2O — CID 178097615

IUPAC2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane
SMILESCC.CC.CC.CN1CCC2(CC1)CC2(F)F.C[C@H]1C[C@@H](O)CCN1C
InChIInChI=1S/C8H13F2N.C7H15NO.3C2H6/c1-11-4-2-7(3-5-11)6-8(7,9)10;1-6-5-7(9)3-4-8(6)2;3*1-2/h2-6H2,1H3;6-7,9H,3-5H2,1-2H3;3*1-2H3/t;6-,7-;;;/m.0.../s1
InChIKeyHDLSVJGFYOSABF-CZXHNHAMSA-N
MW380.61 g/mol
LogP5.28
Rot. Bonds

About 2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane

2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane (PubChem CID 178097615) has the molecular formula C21H46F2N2O and a molecular weight of 380.61 g/mol. Its IUPAC name is 2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane.

Molecular Properties

Compound Name2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane
PubChem CID178097615
Molecular FormulaC21H46F2N2O
Molecular Weight380.61 g/mol
Exact Mass380.36
IUPAC Name2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane
SMILESCC.CC.CC.CN1CCC2(CC1)CC2(F)F.C[C@H]1C[C@@H](O)CCN1C
InChIInChI=1S/C8H13F2N.C7H15NO.3C2H6/c1-11-4-2-7(3-5-11)6-8(7,9)10;1-6-5-7(9)3-4-8(6)2;3*1-2/h2-6H2,1H3;6-7,9H,3-5H2,1-2H3;3*1-2H3/t;6-,7-;;;/m.0.../s1
InChIKeyHDLSVJGFYOSABF-CZXHNHAMSA-N
XLogP5.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane?
The IUPAC name of 2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane (CID 178097615) is 2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane.
What is the SMILES notation for 2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane?
The canonical SMILES for 2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane is CC.CC.CC.CN1CCC2(CC1)CC2(F)F.C[C@H]1C[C@@H](O)CCN1C.
What is the InChIKey of 2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane?
The InChIKey is HDLSVJGFYOSABF-CZXHNHAMSA-N. The full InChI is InChI=1S/C8H13F2N.C7H15NO.3C2H6/c1-11-4-2-7(3-5-11)6-8(7,9)10;1-6-5-7(9)3-4-8(6)2;3*1-2/h2-6H2,1H3;6-7,9H,3-5H2,1-2H3;3*1-2H3/t;6-,7-;;;/m.0.../s1.
What are the key properties of 2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane?
2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane has a molecular weight of 380.61 g/mol, XLogP of 5.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane is sourced from PubChem (CID 178097615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).