2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde

C10H19NO — CID 54304870

IUPAC2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde
SMILESCC1CCN(CC=O)C(C)C1C
InChIInChI=1S/C10H19NO/c1-8-4-5-11(6-7-12)10(3)9(8)2/h7-10H,4-6H2,1-3H3
InChIKeyVBBWESSFSXEDPI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds2

About 2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde

2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde (PubChem CID 54304870) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde
PubChem CID54304870
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde
SMILESCC1CCN(CC=O)C(C)C1C
InChIInChI=1S/C10H19NO/c1-8-4-5-11(6-7-12)10(3)9(8)2/h7-10H,4-6H2,1-3H3
InChIKeyVBBWESSFSXEDPI-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
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-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde?
The IUPAC name of 2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde (CID 54304870) is 2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde is CC1CCN(CC=O)C(C)C1C.
What is the InChIKey of 2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde?
The InChIKey is VBBWESSFSXEDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-4-5-11(6-7-12)10(3)9(8)2/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde?
2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethylpiperidin-1-yl)acetaldehyde is sourced from PubChem (CID 54304870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).