1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate

C23H46N2O2 — CID 158360818

IUPAC1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23NO2.C11H23N/c1-9(14)15-10-7-11(2,3)13(6)12(4,5)8-10;1-9-7-10(2,3)12(6)11(4,5)8-9/h10H,7-8H2,1-6H3;9H,7-8H2,1-6H3
InChIKeyGTLHNEDNKXNKFN-UHFFFAOYSA-N
MW382.63 g/mol
LogP5.11
Rot. Bonds1

About 1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate

1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate (PubChem CID 158360818) has the molecular formula C23H46N2O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is 1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
PubChem CID158360818
Molecular FormulaC23H46N2O2
Molecular Weight382.63 g/mol
Exact Mass382.36
IUPAC Name1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23NO2.C11H23N/c1-9(14)15-10-7-11(2,3)13(6)12(4,5)8-10;1-9-7-10(2,3)12(6)11(4,5)8-9/h10H,7-8H2,1-6H3;9H,7-8H2,1-6H3
InChIKeyGTLHNEDNKXNKFN-UHFFFAOYSA-N
XLogP5.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate with MolForge

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Related Compounds

(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid
CID 175054219
1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451
1,2,2,4,6,6-hexamethylpiperidine;vanadium
CID 159209902
(1,2,2-trimethylpiperidin-4-yl) acetate
CID 163597402
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate
CID 89097628
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972
[(1S,3R)-3-acetyl-3,4,4-trimethylcyclopentyl] acetate
CID 15375852
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazoacetate
CID 54185038
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine
CID 23161986

Frequently Asked Questions

What is the IUPAC name of 1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate?
The IUPAC name of 1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate (CID 158360818) is 1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate.
What is the SMILES notation for 1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate?
The canonical SMILES for 1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate is CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.CC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate?
The InChIKey is GTLHNEDNKXNKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C11H23N/c1-9(14)15-10-7-11(2,3)13(6)12(4,5)8-10;1-9-7-10(2,3)12(6)11(4,5)8-9/h10H,7-8H2,1-6H3;9H,7-8H2,1-6H3.
What are the key properties of 1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate?
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate has a molecular weight of 382.63 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate is sourced from PubChem (CID 158360818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).