1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine

C41H86N4O2 — CID 158596903

IUPAC1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)N(C)C(C)(C)C1.CC1CC(C)(C)N(O)C(C)(C)C1.CC1CC(C)(C)N(O)C(C)(C)C1.CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C11H23N.2C10H21NO.C10H21N/c1-9-7-10(2,3)12(6)11(4,5)8-9;2*1-8-6-9(2,3)11(12)10(4,5)7-8;1-8-6-9(2,3)11-10(4,5)7-8/h9H,7-8H2,1-6H3;2*8,12H,6-7H2,1-5H3;8,11H,6-7H2,1-5H3
InChIKeyMWYVVAIAUHWHCA-UHFFFAOYSA-N
MW667.17 g/mol
LogP10.80
Rot. Bonds

About 1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine

1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine (PubChem CID 158596903) has the molecular formula C41H86N4O2 and a molecular weight of 667.17 g/mol. Its IUPAC name is 1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine
PubChem CID158596903
Molecular FormulaC41H86N4O2
Molecular Weight667.17 g/mol
Exact Mass666.68
IUPAC Name1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)N(C)C(C)(C)C1.CC1CC(C)(C)N(O)C(C)(C)C1.CC1CC(C)(C)N(O)C(C)(C)C1.CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C11H23N.2C10H21NO.C10H21N/c1-9-7-10(2,3)12(6)11(4,5)8-9;2*1-8-6-9(2,3)11(12)10(4,5)7-8;1-8-6-9(2,3)11-10(4,5)7-8/h9H,7-8H2,1-6H3;2*8,12H,6-7H2,1-5H3;8,11H,6-7H2,1-5H3
InChIKeyMWYVVAIAUHWHCA-UHFFFAOYSA-N
XLogP10.80
TPSA62.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.17
LogP ≤ 510.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
1,2,2,4,6,6-hexamethylpiperidine;vanadium
CID 159209902
1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451
1-hydroxy-2,2,6,6-tetramethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine
CID 155177322
1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine
CID 161349647
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
CID 159311627
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-10-oxodecanoate;(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxo-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoate
CID 160634307
methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine
CID 157477069
1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid
CID 175054219
N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine
CID 161457537
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;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of 1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine (CID 158596903) is 1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for 1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for 1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine is CC1CC(C)(C)N(C)C(C)(C)C1.CC1CC(C)(C)N(O)C(C)(C)C1.CC1CC(C)(C)N(O)C(C)(C)C1.CC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine?
The InChIKey is MWYVVAIAUHWHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.2C10H21NO.C10H21N/c1-9-7-10(2,3)12(6)11(4,5)8-9;2*1-8-6-9(2,3)11(12)10(4,5)7-8;1-8-6-9(2,3)11-10(4,5)7-8/h9H,7-8H2,1-6H3;2*8,12H,6-7H2,1-5H3;8,11H,6-7H2,1-5H3.
What are the key properties of 1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine?
1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine has a molecular weight of 667.17 g/mol, XLogP of 10.80, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 158596903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).