3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate

C54H111N7O11 — CID 157110134

IUPAC3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(=O)CC(C)(C)N1O.CC1(C)CC(N)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CCCC(C)(C)N1O.CC1(C)COC(C)(C)N1O.COC(=O)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H21NO3.C9H20N2O.C9H19NO2.C9H17NO2.C9H19NO.C7H15NO2/c1-10(2)6-8(9(13)15-5)7-11(3,4)12(10)14;1-8(2)5-7(10)6-9(3,4)11(8)12;2*1-8(2)5-7(11)6-9(3,4)10(8)12;1-8(2)6-5-7-9(3,4)10(8)11;1-6(2)5-10-7(3,4)8(6)9/h8,14H,6-7H2,1-5H3;7,12H,5-6,10H2,1-4H3;7,11-12H,5-6H2,1-4H3;12H,5-6H2,1-4H3;11H,5-7H2,1-4H3;9H,5H2,1-4H3
InChIKeyPKLBCMVJCVQBJC-UHFFFAOYSA-N
MW1034.52 g/mol
LogP9.80
Rot. Bonds1

About 3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate

3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 157110134) has the molecular formula C54H111N7O11 and a molecular weight of 1034.52 g/mol. Its IUPAC name is 3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID157110134
Molecular FormulaC54H111N7O11
Molecular Weight1034.52 g/mol
Exact Mass1033.83
IUPAC Name3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(=O)CC(C)(C)N1O.CC1(C)CC(N)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CCCC(C)(C)N1O.CC1(C)COC(C)(C)N1O.COC(=O)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H21NO3.C9H20N2O.C9H19NO2.C9H17NO2.C9H19NO.C7H15NO2/c1-10(2)6-8(9(13)15-5)7-11(3,4)12(10)14;1-8(2)5-7(10)6-9(3,4)11(8)12;2*1-8(2)5-7(11)6-9(3,4)10(8)12;1-8(2)6-5-7-9(3,4)10(8)11;1-6(2)5-10-7(3,4)8(6)9/h8,14H,6-7H2,1-5H3;7,12H,5-6,10H2,1-4H3;7,11-12H,5-6H2,1-4H3;12H,5-6H2,1-4H3;11H,5-7H2,1-4H3;9H,5H2,1-4H3
InChIKeyPKLBCMVJCVQBJC-UHFFFAOYSA-N
XLogP9.80
TPSA239.67 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds1
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001034.52
LogP ≤ 59.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of 3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 157110134) is 3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for 3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for 3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is CC1(C)CC(=O)CC(C)(C)N1O.CC1(C)CC(N)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CCCC(C)(C)N1O.CC1(C)COC(C)(C)N1O.COC(=O)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is PKLBCMVJCVQBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.C9H20N2O.C9H19NO2.C9H17NO2.C9H19NO.C7H15NO2/c1-10(2)6-8(9(13)15-5)7-11(3,4)12(10)14;1-8(2)5-7(10)6-9(3,4)11(8)12;2*1-8(2)5-7(11)6-9(3,4)10(8)12;1-8(2)6-5-7-9(3,4)10(8)11;1-6(2)5-10-7(3,4)8(6)9/h8,14H,6-7H2,1-5H3;7,12H,5-6,10H2,1-4H3;7,11-12H,5-6H2,1-4H3;12H,5-6H2,1-4H3;11H,5-7H2,1-4H3;9H,5H2,1-4H3.
What are the key properties of 3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 1034.52 g/mol, XLogP of 9.80, 1 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-amine;1-hydroxy-2,2,6,6-tetramethylpiperidine;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one;methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 157110134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).