3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol

C13H16N2O — CID 169286743

IUPAC3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol
SMILES[2H]C([2H])(Cc1c[nH]c2cccc(O)c12)N1C([2H])([2H])CC1([2H])[2H]
InChIInChI=1S/C13H16N2O/c16-12-4-1-3-11-13(12)10(9-14-11)5-8-15-6-2-7-15/h1,3-4,9,14,16H,2,5-8H2/i6D2,7D2,8D2
InChIKeyPXCVJKHVIVHNMT-JEKPXRCASA-N
MW222.32 g/mol
LogP2.12
Rot. Bonds3

About 3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol

3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol (PubChem CID 169286743) has the molecular formula C13H16N2O and a molecular weight of 222.32 g/mol. Its IUPAC name is 3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol
PubChem CID169286743
Molecular FormulaC13H16N2O
Molecular Weight222.32 g/mol
Exact Mass222.16
IUPAC Name3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol
SMILES[2H]C([2H])(Cc1c[nH]c2cccc(O)c12)N1C([2H])([2H])CC1([2H])[2H]
InChIInChI=1S/C13H16N2O/c16-12-4-1-3-11-13(12)10(9-14-11)5-8-15-6-2-7-15/h1,3-4,9,14,16H,2,5-8H2/i6D2,7D2,8D2
InChIKeyPXCVJKHVIVHNMT-JEKPXRCASA-N
XLogP2.12
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol with MolForge

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Related Compounds

3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol
CID 166629733
3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole
CID 166106987
3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol
CID 169286708
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
CID 117171455
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol
CID 71748984
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium
CID 170723032
3-[2-(dodecylamino)ethyl]-1H-indol-4-ol
CID 167346455
3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
CID 172624995
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol?
The IUPAC name of 3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol (CID 169286743) is 3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol?
The canonical SMILES for 3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol is [2H]C([2H])(Cc1c[nH]c2cccc(O)c12)N1C([2H])([2H])CC1([2H])[2H].
What is the InChIKey of 3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol?
The InChIKey is PXCVJKHVIVHNMT-JEKPXRCASA-N. The full InChI is InChI=1S/C13H16N2O/c16-12-4-1-3-11-13(12)10(9-14-11)5-8-15-6-2-7-15/h1,3-4,9,14,16H,2,5-8H2/i6D2,7D2,8D2.
What are the key properties of 3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol?
3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol has a molecular weight of 222.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol is sourced from PubChem (CID 169286743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).