6-octylpiperidine-2-carboxylic acid

C14H27NO2 — CID 112574283

IUPAC6-octylpiperidine-2-carboxylic acid
SMILESCCCCCCCCC1CCCC(C(=O)O)N1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-9-12-10-8-11-13(15-12)14(16)17/h12-13,15H,2-11H2,1H3,(H,16,17)
InChIKeyXNAAIKQRVPUQHU-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.33
Rot. Bonds8

About 6-octylpiperidine-2-carboxylic acid

6-octylpiperidine-2-carboxylic acid (PubChem CID 112574283) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 6-octylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-octylpiperidine-2-carboxylic acid
PubChem CID112574283
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name6-octylpiperidine-2-carboxylic acid
SMILESCCCCCCCCC1CCCC(C(=O)O)N1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-9-12-10-8-11-13(15-12)14(16)17/h12-13,15H,2-11H2,1H3,(H,16,17)
InChIKeyXNAAIKQRVPUQHU-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-heptylpyrrolidine-2-carboxylic acid
CID 112574667
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
6-(3-methylsulfonylpropyl)piperidine-2-carboxylic acid
CID 112574146
2-dodecyl-1,3-thiazinane-4-carboxylic acid
CID 11782043
2-hexyl-1,3-thiazinane-4-carboxylic acid
CID 60919531
(2S,6R)-2-methyl-6-nonylpiperidine;hydrochloride
CID 71739126
(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
CID 24774422
(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride
CID 24773513
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
6-but-2-ynylpiperidine-2-carboxylic acid
CID 112574506
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428

Frequently Asked Questions

What is the IUPAC name of 6-octylpiperidine-2-carboxylic acid?
The IUPAC name of 6-octylpiperidine-2-carboxylic acid (CID 112574283) is 6-octylpiperidine-2-carboxylic acid.
What is the SMILES notation for 6-octylpiperidine-2-carboxylic acid?
The canonical SMILES for 6-octylpiperidine-2-carboxylic acid is CCCCCCCCC1CCCC(C(=O)O)N1.
What is the InChIKey of 6-octylpiperidine-2-carboxylic acid?
The InChIKey is XNAAIKQRVPUQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-9-12-10-8-11-13(15-12)14(16)17/h12-13,15H,2-11H2,1H3,(H,16,17).
What are the key properties of 6-octylpiperidine-2-carboxylic acid?
6-octylpiperidine-2-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octylpiperidine-2-carboxylic acid is sourced from PubChem (CID 112574283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).