3-ethylnonanoic acid;piperidine

C16H33NO2 — CID 175583791

IUPAC3-ethylnonanoic acid;piperidine
SMILESC1CCNCC1.CCCCCCC(CC)CC(=O)O
InChIInChI=1S/C11H22O2.C5H11N/c1-3-5-6-7-8-10(4-2)9-11(12)13;1-2-4-6-5-3-1/h10H,3-9H2,1-2H3,(H,12,13);6H,1-5H2
InChIKeyMEVSMOMXTJSAIW-UHFFFAOYSA-N
MW271.44 g/mol
LogP4.22
Rot. Bonds8

About 3-ethylnonanoic acid;piperidine

3-ethylnonanoic acid;piperidine (PubChem CID 175583791) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 3-ethylnonanoic acid;piperidine.

Molecular Properties

Compound Name3-ethylnonanoic acid;piperidine
PubChem CID175583791
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name3-ethylnonanoic acid;piperidine
SMILESC1CCNCC1.CCCCCCC(CC)CC(=O)O
InChIInChI=1S/C11H22O2.C5H11N/c1-3-5-6-7-8-10(4-2)9-11(12)13;1-2-4-6-5-3-1/h10H,3-9H2,1-2H3,(H,12,13);6H,1-5H2
InChIKeyMEVSMOMXTJSAIW-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethylnonanoic acid;piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethylhexadecanoic acid
CID 14298660
bis(3-ethyloctanoic acid);nickel
CID 176656697
3-ethyloctanoic acid;neodymium
CID 174650378
3-heptylpentanedioic acid
CID 14574131
3-tetradecyloctadecanoic acid
CID 18954670
decanoic acid;piperidine
CID 173189306
azepane;dodecanoic acid
CID 173452223
(3S)-3-(hydroxymethyl)decanoic acid
CID 88616770
3-(2-hydroxyethyl)nonanoic acid
CID 87790478
2-(9-ethyltetradecyl)butanedioic acid
CID 174907381
hexane-2,5-diol;3-hexylundecanoic acid
CID 87784320
3-(3-aminopropyl)decanoic acid
CID 21259292

Frequently Asked Questions

What is the IUPAC name of 3-ethylnonanoic acid;piperidine?
The IUPAC name of 3-ethylnonanoic acid;piperidine (CID 175583791) is 3-ethylnonanoic acid;piperidine.
What is the SMILES notation for 3-ethylnonanoic acid;piperidine?
The canonical SMILES for 3-ethylnonanoic acid;piperidine is C1CCNCC1.CCCCCCC(CC)CC(=O)O.
What is the InChIKey of 3-ethylnonanoic acid;piperidine?
The InChIKey is MEVSMOMXTJSAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.C5H11N/c1-3-5-6-7-8-10(4-2)9-11(12)13;1-2-4-6-5-3-1/h10H,3-9H2,1-2H3,(H,12,13);6H,1-5H2.
What are the key properties of 3-ethylnonanoic acid;piperidine?
3-ethylnonanoic acid;piperidine has a molecular weight of 271.44 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylnonanoic acid;piperidine is sourced from PubChem (CID 175583791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).