2-ethoxypiperidine-1-carbaldehyde

C8H15NO2 — CID 87544079

IUPAC2-ethoxypiperidine-1-carbaldehyde
SMILESCCOC1CCCCN1C=O
InChIInChI=1S/C8H15NO2/c1-2-11-8-5-3-4-6-9(8)7-10/h7-8H,2-6H2,1H3
InChIKeyUEKKUNAKGPSJIV-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.99
Rot. Bonds3

About 2-ethoxypiperidine-1-carbaldehyde

2-ethoxypiperidine-1-carbaldehyde (PubChem CID 87544079) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-ethoxypiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-ethoxypiperidine-1-carbaldehyde
PubChem CID87544079
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-ethoxypiperidine-1-carbaldehyde
SMILESCCOC1CCCCN1C=O
InChIInChI=1S/C8H15NO2/c1-2-11-8-5-3-4-6-9(8)7-10/h7-8H,2-6H2,1H3
InChIKeyUEKKUNAKGPSJIV-UHFFFAOYSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.99
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-ethoxypiperidine-1-carbaldehyde?
The IUPAC name of 2-ethoxypiperidine-1-carbaldehyde (CID 87544079) is 2-ethoxypiperidine-1-carbaldehyde.
What is the SMILES notation for 2-ethoxypiperidine-1-carbaldehyde?
The canonical SMILES for 2-ethoxypiperidine-1-carbaldehyde is CCOC1CCCCN1C=O.
What is the InChIKey of 2-ethoxypiperidine-1-carbaldehyde?
The InChIKey is UEKKUNAKGPSJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-11-8-5-3-4-6-9(8)7-10/h7-8H,2-6H2,1H3.
What are the key properties of 2-ethoxypiperidine-1-carbaldehyde?
2-ethoxypiperidine-1-carbaldehyde has a molecular weight of 157.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypiperidine-1-carbaldehyde is sourced from PubChem (CID 87544079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).