3-piperidin-1-ylnonanoic acid

C14H27NO2 — CID 64527594

IUPAC3-piperidin-1-ylnonanoic acid
SMILESCCCCCCC(CC(=O)O)N1CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-6-9-13(12-14(16)17)15-10-7-5-8-11-15/h13H,2-12H2,1H3,(H,16,17)
InChIKeyTYFKDAXJUTWMTG-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.29
Rot. Bonds8

About 3-piperidin-1-ylnonanoic acid

3-piperidin-1-ylnonanoic acid (PubChem CID 64527594) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-piperidin-1-ylnonanoic acid.

Molecular Properties

Compound Name3-piperidin-1-ylnonanoic acid
PubChem CID64527594
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-piperidin-1-ylnonanoic acid
SMILESCCCCCCC(CC(=O)O)N1CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-6-9-13(12-14(16)17)15-10-7-5-8-11-15/h13H,2-12H2,1H3,(H,16,17)
InChIKeyTYFKDAXJUTWMTG-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-1-yldecanoic acid
CID 64526772
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-decan-4-ylpiperidine
CID 142178259
1-decan-3-ylpiperidine
CID 68984931
2-(azocan-1-yl)nonan-1-amine
CID 43130470
2-piperidin-1-ylheptanoic acid
CID 43803843
1-(1-iodononan-2-yl)pyrrolidine
CID 69028048
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid
CID 81047869
1-octan-4-ylazonane
CID 123427772

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylnonanoic acid?
The IUPAC name of 3-piperidin-1-ylnonanoic acid (CID 64527594) is 3-piperidin-1-ylnonanoic acid.
What is the SMILES notation for 3-piperidin-1-ylnonanoic acid?
The canonical SMILES for 3-piperidin-1-ylnonanoic acid is CCCCCCC(CC(=O)O)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylnonanoic acid?
The InChIKey is TYFKDAXJUTWMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-6-9-13(12-14(16)17)15-10-7-5-8-11-15/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of 3-piperidin-1-ylnonanoic acid?
3-piperidin-1-ylnonanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylnonanoic acid is sourced from PubChem (CID 64527594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).