4-ethylpiperidine-4-carbaldehyde

C8H15NO — CID 143495317

IUPAC4-ethylpiperidine-4-carbaldehyde
SMILESCCC1(C=O)CCNCC1
InChIInChI=1S/C8H15NO/c1-2-8(7-10)3-5-9-6-4-8/h7,9H,2-6H2,1H3
InChIKeyHNGWROCIHLBDOA-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.97
Rot. Bonds2

About 4-ethylpiperidine-4-carbaldehyde

4-ethylpiperidine-4-carbaldehyde (PubChem CID 143495317) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-ethylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-ethylpiperidine-4-carbaldehyde
PubChem CID143495317
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-ethylpiperidine-4-carbaldehyde
SMILESCCC1(C=O)CCNCC1
InChIInChI=1S/C8H15NO/c1-2-8(7-10)3-5-9-6-4-8/h7,9H,2-6H2,1H3
InChIKeyHNGWROCIHLBDOA-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
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 4-ethylpiperidine-4-carbaldehyde?
The IUPAC name of 4-ethylpiperidine-4-carbaldehyde (CID 143495317) is 4-ethylpiperidine-4-carbaldehyde.
What is the SMILES notation for 4-ethylpiperidine-4-carbaldehyde?
The canonical SMILES for 4-ethylpiperidine-4-carbaldehyde is CCC1(C=O)CCNCC1.
What is the InChIKey of 4-ethylpiperidine-4-carbaldehyde?
The InChIKey is HNGWROCIHLBDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-8(7-10)3-5-9-6-4-8/h7,9H,2-6H2,1H3.
What are the key properties of 4-ethylpiperidine-4-carbaldehyde?
4-ethylpiperidine-4-carbaldehyde has a molecular weight of 141.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpiperidine-4-carbaldehyde is sourced from PubChem (CID 143495317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).