1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane

C24H52N2O3 — CID 161023393

IUPAC1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane
SMILESC.CCON1C(C)(C)CC(C)CC1(C)C.CCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C12H25NO.C11H23NO2.CH4/c1-7-14-13-11(3,4)8-10(2)9-12(13,5)6;1-6-14-12-10(2,3)7-9(13)8-11(12,4)5;/h10H,7-9H2,1-6H3;9,13H,6-8H2,1-5H3;1H4
InChIKeyTYRAMXFVDALHOO-UHFFFAOYSA-N
MW416.69 g/mol
LogP5.81
Rot. Bonds4

About 1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane

1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane (PubChem CID 161023393) has the molecular formula C24H52N2O3 and a molecular weight of 416.69 g/mol. Its IUPAC name is 1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane.

Molecular Properties

Compound Name1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane
PubChem CID161023393
Molecular FormulaC24H52N2O3
Molecular Weight416.69 g/mol
Exact Mass416.40
IUPAC Name1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane
SMILESC.CCON1C(C)(C)CC(C)CC1(C)C.CCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C12H25NO.C11H23NO2.CH4/c1-7-14-13-11(3,4)8-10(2)9-12(13,5)6;1-6-14-12-10(2,3)7-9(13)8-11(12,4)5;/h10H,7-9H2,1-6H3;9,13H,6-8H2,1-5H3;1H4
InChIKeyTYRAMXFVDALHOO-UHFFFAOYSA-N
XLogP5.81
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.69
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine
CID 21348345
1-(methoxymethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 25033837
2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol
CID 22094181
2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798
1-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 57082175
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 6850828
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 143602726
CID 102188245
CID 102188245
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 88999908
1-[(2Z)-2-methoxyiminopropoxy]-2,2,6,6-tetramethylpiperidin-4-ol
CID 59510532

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane?
The IUPAC name of 1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane (CID 161023393) is 1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane.
What is the SMILES notation for 1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane?
The canonical SMILES for 1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane is C.CCON1C(C)(C)CC(C)CC1(C)C.CCON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane?
The InChIKey is TYRAMXFVDALHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C11H23NO2.CH4/c1-7-14-13-11(3,4)8-10(2)9-12(13,5)6;1-6-14-12-10(2,3)7-9(13)8-11(12,4)5;/h10H,7-9H2,1-6H3;9,13H,6-8H2,1-5H3;1H4.
What are the key properties of 1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane?
1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane has a molecular weight of 416.69 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane is sourced from PubChem (CID 161023393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).