3-(1-nonylpiperidin-3-yl)butanoic acid

C18H35NO2 — CID 81047349

IUPAC3-(1-nonylpiperidin-3-yl)butanoic acid
SMILESCCCCCCCCCN1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C18H35NO2/c1-3-4-5-6-7-8-9-12-19-13-10-11-17(15-19)16(2)14-18(20)21/h16-17H,3-15H2,1-2H3,(H,20,21)
InChIKeyPMPICPIDRGPYPY-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.56
Rot. Bonds11

About 3-(1-nonylpiperidin-3-yl)butanoic acid

3-(1-nonylpiperidin-3-yl)butanoic acid (PubChem CID 81047349) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 3-(1-nonylpiperidin-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(1-nonylpiperidin-3-yl)butanoic acid
PubChem CID81047349
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name3-(1-nonylpiperidin-3-yl)butanoic acid
SMILESCCCCCCCCCN1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C18H35NO2/c1-3-4-5-6-7-8-9-12-19-13-10-11-17(15-19)16(2)14-18(20)21/h16-17H,3-15H2,1-2H3,(H,20,21)
InChIKeyPMPICPIDRGPYPY-UHFFFAOYSA-N
XLogP4.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1-nonylpiperidin-3-yl)butanoic 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

3-[1-(2-propylsulfonylethyl)piperidin-3-yl]butanoic acid
CID 106727653
3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid
CID 81047036
3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid
CID 81047869
3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid
CID 81046673
3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
CID 81046095
3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid
CID 81048822
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid
CID 81049391
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
1-heptyl-3-methylpiperidine;methanesulfonic acid
CID 175583555
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308

Frequently Asked Questions

What is the IUPAC name of 3-(1-nonylpiperidin-3-yl)butanoic acid?
The IUPAC name of 3-(1-nonylpiperidin-3-yl)butanoic acid (CID 81047349) is 3-(1-nonylpiperidin-3-yl)butanoic acid.
What is the SMILES notation for 3-(1-nonylpiperidin-3-yl)butanoic acid?
The canonical SMILES for 3-(1-nonylpiperidin-3-yl)butanoic acid is CCCCCCCCCN1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-(1-nonylpiperidin-3-yl)butanoic acid?
The InChIKey is PMPICPIDRGPYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-3-4-5-6-7-8-9-12-19-13-10-11-17(15-19)16(2)14-18(20)21/h16-17H,3-15H2,1-2H3,(H,20,21).
What are the key properties of 3-(1-nonylpiperidin-3-yl)butanoic acid?
3-(1-nonylpiperidin-3-yl)butanoic acid has a molecular weight of 297.48 g/mol, XLogP of 4.56, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-nonylpiperidin-3-yl)butanoic acid is sourced from PubChem (CID 81047349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).