2,2,6,6-tetramethylpiperidine-3-carbaldehyde

C10H19NO — CID 138564132

IUPAC2,2,6,6-tetramethylpiperidine-3-carbaldehyde
SMILESCC1(C)CCC(C=O)C(C)(C)N1
InChIInChI=1S/C10H19NO/c1-9(2)6-5-8(7-12)10(3,4)11-9/h7-8,11H,5-6H2,1-4H3
InChIKeyGKSWNKQHLRBFIF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.74
Rot. Bonds1

About 2,2,6,6-tetramethylpiperidine-3-carbaldehyde

2,2,6,6-tetramethylpiperidine-3-carbaldehyde (PubChem CID 138564132) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2,6,6-tetramethylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name2,2,6,6-tetramethylpiperidine-3-carbaldehyde
PubChem CID138564132
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2,6,6-tetramethylpiperidine-3-carbaldehyde
SMILESCC1(C)CCC(C=O)C(C)(C)N1
InChIInChI=1S/C10H19NO/c1-9(2)6-5-8(7-12)10(3,4)11-9/h7-8,11H,5-6H2,1-4H3
InChIKeyGKSWNKQHLRBFIF-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-fluoro-2,2,6,6-tetramethylpiperidine
CID 175086193
2,2,3,3-tetramethylcyclopentane-1-carbaldehyde
CID 89229755
2,2-dimethylcycloheptane-1-carbaldehyde
CID 138734461
trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde
CID 93496108
CID 70372398
CID 70372398
3-dodecyl-2,2,6,6-tetramethylpiperidine
CID 173069280
2,2-diethylcyclododecane-1-carbaldehyde
CID 138734451
8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1-carbaldehyde
CID 130035655
3,3-dimethylaziridine-2-carbaldehyde
CID 143355419
magnesium;2,2,6,6-tetramethylpiperidine;chloride
CID 173066007
4-ethoxy-2,2,7,7-tetramethylazepane
CID 122414797
sulfuric acid;2,2,6,6-tetramethylpiperidine
CID 21127455

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethylpiperidine-3-carbaldehyde?
The IUPAC name of 2,2,6,6-tetramethylpiperidine-3-carbaldehyde (CID 138564132) is 2,2,6,6-tetramethylpiperidine-3-carbaldehyde.
What is the SMILES notation for 2,2,6,6-tetramethylpiperidine-3-carbaldehyde?
The canonical SMILES for 2,2,6,6-tetramethylpiperidine-3-carbaldehyde is CC1(C)CCC(C=O)C(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethylpiperidine-3-carbaldehyde?
The InChIKey is GKSWNKQHLRBFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)6-5-8(7-12)10(3,4)11-9/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethylpiperidine-3-carbaldehyde?
2,2,6,6-tetramethylpiperidine-3-carbaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylpiperidine-3-carbaldehyde is sourced from PubChem (CID 138564132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).