1-octylpiperidine-4-carboxylic acid

C14H27NO2 — CID 14745626

IUPAC1-octylpiperidine-4-carboxylic acid
SMILESCCCCCCCCN1CCC(C(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-10-15-11-8-13(9-12-15)14(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyNDIICMPUCXOUSZ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds8

About 1-octylpiperidine-4-carboxylic acid

1-octylpiperidine-4-carboxylic acid (PubChem CID 14745626) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-octylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-octylpiperidine-4-carboxylic acid
PubChem CID14745626
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-octylpiperidine-4-carboxylic acid
SMILESCCCCCCCCN1CCC(C(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-10-15-11-8-13(9-12-15)14(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyNDIICMPUCXOUSZ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-octylpiperidine-4-carboxylic acid 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

1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-octadecylpiperidine-4-carboxamide
CID 4134920
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
acetic acid;4-ethyl-1-hexylpiperidine
CID 175583898
acetic acid;1-dodecyl-4-ethylpiperidine
CID 175583863
1-octylpiperidin-4-ol
CID 62022103
acetic acid;1-dodecylpyrrolidine
CID 175583827
1-dodecyl-4-(1-nitrosoethenyl)piperidine
CID 58479421
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
1-octylpiperidine-3,4-dicarboxylic acid
CID 115918660

Frequently Asked Questions

What is the IUPAC name of 1-octylpiperidine-4-carboxylic acid?
The IUPAC name of 1-octylpiperidine-4-carboxylic acid (CID 14745626) is 1-octylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-octylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-octylpiperidine-4-carboxylic acid is CCCCCCCCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-octylpiperidine-4-carboxylic acid?
The InChIKey is NDIICMPUCXOUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-10-15-11-8-13(9-12-15)14(16)17/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of 1-octylpiperidine-4-carboxylic acid?
1-octylpiperidine-4-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylpiperidine-4-carboxylic acid is sourced from PubChem (CID 14745626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).