2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde

C11H21NO — CID 21292195

IUPAC2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde
SMILESCC1CC(C)(C)N(C=O)C(C)(C)C1
InChIInChI=1S/C11H21NO/c1-9-6-10(2,3)12(8-13)11(4,5)7-9/h8-9H,6-7H2,1-5H3
InChIKeyXQADGMFBZLJGHO-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.43
Rot. Bonds1

About 2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde

2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde (PubChem CID 21292195) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde
PubChem CID21292195
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde
SMILESCC1CC(C)(C)N(C=O)C(C)(C)C1
InChIInChI=1S/C11H21NO/c1-9-6-10(2,3)12(8-13)11(4,5)7-9/h8-9H,6-7H2,1-5H3
InChIKeyXQADGMFBZLJGHO-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
CID 141252974
1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
1,2,2,4,6,6-hexamethylpiperidine;vanadium
CID 159209902
18-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)octadecanoic acid
CID 54076316
N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 20656294
2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine
CID 21348345
1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
CID 159311627
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
2,2,4,6,6-pentamethyl-1-propylpiperidine
CID 23377309
1,1,3-trimethylcyclobutane
CID 12656861
1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid
CID 175054219

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde?
The IUPAC name of 2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde (CID 21292195) is 2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde.
What is the SMILES notation for 2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde?
The canonical SMILES for 2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde is CC1CC(C)(C)N(C=O)C(C)(C)C1.
What is the InChIKey of 2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde?
The InChIKey is XQADGMFBZLJGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-6-10(2,3)12(8-13)11(4,5)7-9/h8-9H,6-7H2,1-5H3.
What are the key properties of 2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde?
2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde has a molecular weight of 183.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde is sourced from PubChem (CID 21292195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).