1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium

C29H60N2O3Y-2 — CID 160987356

IUPAC1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium
SMILESC.CC(C)C1CC(C)(C)N(O)C(C)(C)C1.[CH2-]C(=O)CC1CC(C)(C)N(O)C(C)(C)C1.[CH2-]C(C)C.[Y]
InChIInChI=1S/C12H22NO2.C12H25NO.C4H9.CH4.Y/c1-9(14)6-10-7-11(2,3)13(15)12(4,5)8-10;1-9(2)10-7-11(3,4)13(14)12(5,6)8-10;1-4(2)3;;/h10,15H,1,6-8H2,2-5H3;9-10,14H,7-8H2,1-6H3;4H,1H2,2-3H3;1H4;/q-1;;-1;;
InChIKeyXNFLOAHAVCKDAM-UHFFFAOYSA-N
MW573.72 g/mol
LogP7.85
Rot. Bonds3

About 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium

1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium (PubChem CID 160987356) has the molecular formula C29H60N2O3Y-2 and a molecular weight of 573.72 g/mol. Its IUPAC name is 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium.

Molecular Properties

Compound Name1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium
PubChem CID160987356
Molecular FormulaC29H60N2O3Y-2
Molecular Weight573.72 g/mol
Exact Mass573.37
IUPAC Name1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium
SMILESC.CC(C)C1CC(C)(C)N(O)C(C)(C)C1.[CH2-]C(=O)CC1CC(C)(C)N(O)C(C)(C)C1.[CH2-]C(C)C.[Y]
InChIInChI=1S/C12H22NO2.C12H25NO.C4H9.CH4.Y/c1-9(14)6-10-7-11(2,3)13(15)12(4,5)8-10;1-9(2)10-7-11(3,4)13(14)12(5,6)8-10;1-4(2)3;;/h10,15H,1,6-8H2,2-5H3;9-10,14H,7-8H2,1-6H3;4H,1H2,2-3H3;1H4;/q-1;;-1;;
InChIKeyXNFLOAHAVCKDAM-UHFFFAOYSA-N
XLogP7.85
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.72
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium?
The IUPAC name of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium (CID 160987356) is 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium.
What is the SMILES notation for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium?
The canonical SMILES for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium is C.CC(C)C1CC(C)(C)N(O)C(C)(C)C1.[CH2-]C(=O)CC1CC(C)(C)N(O)C(C)(C)C1.[CH2-]C(C)C.[Y].
What is the InChIKey of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium?
The InChIKey is XNFLOAHAVCKDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO2.C12H25NO.C4H9.CH4.Y/c1-9(14)6-10-7-11(2,3)13(15)12(4,5)8-10;1-9(2)10-7-11(3,4)13(14)12(5,6)8-10;1-4(2)3;;/h10,15H,1,6-8H2,2-5H3;9-10,14H,7-8H2,1-6H3;4H,1H2,2-3H3;1H4;/q-1;;-1;;.
What are the key properties of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium?
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium has a molecular weight of 573.72 g/mol, XLogP of 7.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one;1-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylpiperidine;methane;2-methanidylpropane;yttrium is sourced from PubChem (CID 160987356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).