1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane

C22H45N — CID 159311627

IUPAC1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
SMILESCC1CC(C)(C)CC(C)(C)C1.CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C11H23N.C11H22/c1-9-7-10(2,3)12(6)11(4,5)8-9;1-9-6-10(2,3)8-11(4,5)7-9/h9H,7-8H2,1-6H3;9H,6-8H2,1-5H3
InChIKeyLCPWAOIFEPHWMJ-UHFFFAOYSA-N
MW323.61 g/mol
LogP6.76
Rot. Bonds

About 1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane

1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane (PubChem CID 159311627) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is 1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane.

Molecular Properties

Compound Name1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
PubChem CID159311627
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC Name1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
SMILESCC1CC(C)(C)CC(C)(C)C1.CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C11H23N.C11H22/c1-9-7-10(2,3)12(6)11(4,5)8-9;1-9-6-10(2,3)8-11(4,5)7-9/h9H,7-8H2,1-6H3;9H,6-8H2,1-5H3
InChIKeyLCPWAOIFEPHWMJ-UHFFFAOYSA-N
XLogP6.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane with MolForge

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Related Compounds

1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451
1,2,2,4,6,6-hexamethylpiperidine;vanadium
CID 159209902
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane
CID 59482332
1,1,3-trimethylcyclobutane
CID 12656861
1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid
CID 175054219
1,3,3,5,5,7-hexamethylazocane
CID 70331342
1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine
CID 158596903
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine
CID 23161986
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane
CID 157489210
(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane
CID 124582887

Frequently Asked Questions

What is the IUPAC name of 1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane?
The IUPAC name of 1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane (CID 159311627) is 1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane.
What is the SMILES notation for 1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane?
The canonical SMILES for 1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane is CC1CC(C)(C)CC(C)(C)C1.CC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane?
The InChIKey is LCPWAOIFEPHWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C11H22/c1-9-7-10(2,3)12(6)11(4,5)8-9;1-9-6-10(2,3)8-11(4,5)7-9/h9H,7-8H2,1-6H3;9H,6-8H2,1-5H3.
What are the key properties of 1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane?
1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane has a molecular weight of 323.61 g/mol, XLogP of 6.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane is sourced from PubChem (CID 159311627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).