1-(2-ethoxyethyl)piperidine-4-carbaldehyde

C10H19NO2 — CID 62654830

IUPAC1-(2-ethoxyethyl)piperidine-4-carbaldehyde
SMILESCCOCCN1CCC(C=O)CC1
InChIInChI=1S/C10H19NO2/c1-2-13-8-7-11-5-3-10(9-12)4-6-11/h9-10H,2-8H2,1H3
InChIKeyBEXMSDYLZLERSS-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds5

About 1-(2-ethoxyethyl)piperidine-4-carbaldehyde

1-(2-ethoxyethyl)piperidine-4-carbaldehyde (PubChem CID 62654830) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-ethoxyethyl)piperidine-4-carbaldehyde
PubChem CID62654830
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2-ethoxyethyl)piperidine-4-carbaldehyde
SMILESCCOCCN1CCC(C=O)CC1
InChIInChI=1S/C10H19NO2/c1-2-13-8-7-11-5-3-10(9-12)4-6-11/h9-10H,2-8H2,1H3
InChIKeyBEXMSDYLZLERSS-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2-ethoxyethyl)piperidine-4-carbaldehyde (CID 62654830) is 1-(2-ethoxyethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2-ethoxyethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2-ethoxyethyl)piperidine-4-carbaldehyde is CCOCCN1CCC(C=O)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)piperidine-4-carbaldehyde?
The InChIKey is BEXMSDYLZLERSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-13-8-7-11-5-3-10(9-12)4-6-11/h9-10H,2-8H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)piperidine-4-carbaldehyde?
1-(2-ethoxyethyl)piperidine-4-carbaldehyde has a molecular weight of 185.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62654830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).