2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde

C11H21NO — CID 19990119

IUPAC2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde
SMILESCC1(C)CNCC(C)(C)C1CC=O
InChIInChI=1S/C11H21NO/c1-10(2)7-12-8-11(3,4)9(10)5-6-13/h6,9,12H,5,7-8H2,1-4H3
InChIKeyKDKKNZIKYHKGNP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.85
Rot. Bonds2

About 2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde

2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde (PubChem CID 19990119) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde
PubChem CID19990119
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde
SMILESCC1(C)CNCC(C)(C)C1CC=O
InChIInChI=1S/C11H21NO/c1-10(2)7-12-8-11(3,4)9(10)5-6-13/h6,9,12H,5,7-8H2,1-4H3
InChIKeyKDKKNZIKYHKGNP-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde?
The IUPAC name of 2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde (CID 19990119) is 2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde?
The canonical SMILES for 2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde is CC1(C)CNCC(C)(C)C1CC=O.
What is the InChIKey of 2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde?
The InChIKey is KDKKNZIKYHKGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)7-12-8-11(3,4)9(10)5-6-13/h6,9,12H,5,7-8H2,1-4H3.
What are the key properties of 2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde?
2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde has a molecular weight of 183.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,5,5-tetramethylpiperidin-4-yl)acetaldehyde is sourced from PubChem (CID 19990119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).