2-ethylpiperidine-1-carbaldehyde

C8H15NO — CID 14762613

IUPAC2-ethylpiperidine-1-carbaldehyde
SMILESCCC1CCCCN1C=O
InChIInChI=1S/C8H15NO/c1-2-8-5-3-4-6-9(8)7-10/h7-8H,2-6H2,1H3
InChIKeyUCRCMZITBQOBAX-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds2

About 2-ethylpiperidine-1-carbaldehyde

2-ethylpiperidine-1-carbaldehyde (PubChem CID 14762613) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-ethylpiperidine-1-carbaldehyde
PubChem CID14762613
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-ethylpiperidine-1-carbaldehyde
SMILESCCC1CCCCN1C=O
InChIInChI=1S/C8H15NO/c1-2-8-5-3-4-6-9(8)7-10/h7-8H,2-6H2,1H3
InChIKeyUCRCMZITBQOBAX-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethylpiperidine-1-carbaldehyde?
The IUPAC name of 2-ethylpiperidine-1-carbaldehyde (CID 14762613) is 2-ethylpiperidine-1-carbaldehyde.
What is the SMILES notation for 2-ethylpiperidine-1-carbaldehyde?
The canonical SMILES for 2-ethylpiperidine-1-carbaldehyde is CCC1CCCCN1C=O.
What is the InChIKey of 2-ethylpiperidine-1-carbaldehyde?
The InChIKey is UCRCMZITBQOBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-8-5-3-4-6-9(8)7-10/h7-8H,2-6H2,1H3.
What are the key properties of 2-ethylpiperidine-1-carbaldehyde?
2-ethylpiperidine-1-carbaldehyde has a molecular weight of 141.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpiperidine-1-carbaldehyde is sourced from PubChem (CID 14762613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).