2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde

C11H19NO2 — CID 170137640

IUPAC2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde
SMILESCCC1(CC=O)CCN(C(C)=O)CC1
InChIInChI=1S/C11H19NO2/c1-3-11(6-9-13)4-7-12(8-5-11)10(2)14/h9H,3-8H2,1-2H3
InChIKeyMKHGLJXGASMMOG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds3

About 2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde

2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde (PubChem CID 170137640) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde
PubChem CID170137640
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde
SMILESCCC1(CC=O)CCN(C(C)=O)CC1
InChIInChI=1S/C11H19NO2/c1-3-11(6-9-13)4-7-12(8-5-11)10(2)14/h9H,3-8H2,1-2H3
InChIKeyMKHGLJXGASMMOG-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
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-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde?
The IUPAC name of 2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde (CID 170137640) is 2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde?
The canonical SMILES for 2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde is CCC1(CC=O)CCN(C(C)=O)CC1.
What is the InChIKey of 2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde?
The InChIKey is MKHGLJXGASMMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-11(6-9-13)4-7-12(8-5-11)10(2)14/h9H,3-8H2,1-2H3.
What are the key properties of 2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde?
2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde has a molecular weight of 197.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde is sourced from PubChem (CID 170137640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).