2-(4-nonylpiperazin-1-yl)propanoic acid

C16H32N2O2 — CID 62310084

IUPAC2-(4-nonylpiperazin-1-yl)propanoic acid
SMILESCCCCCCCCCN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)15(2)16(19)20/h15H,3-14H2,1-2H3,(H,19,20)
InChIKeyRFKPKTTVDVAEKF-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.83
Rot. Bonds10

About 2-(4-nonylpiperazin-1-yl)propanoic acid

2-(4-nonylpiperazin-1-yl)propanoic acid (PubChem CID 62310084) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(4-nonylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-nonylpiperazin-1-yl)propanoic acid
PubChem CID62310084
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-(4-nonylpiperazin-1-yl)propanoic acid
SMILESCCCCCCCCCN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)15(2)16(19)20/h15H,3-14H2,1-2H3,(H,19,20)
InChIKeyRFKPKTTVDVAEKF-UHFFFAOYSA-N
XLogP2.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-nonylpiperazin-1-yl)propanoic 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

2-[4-(2-butoxyethyl)piperazin-1-yl]propanoic acid
CID 62311492
2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid
CID 106454666
2-(4-octan-2-ylpiperazin-1-yl)propanoic acid
CID 65062156
2-(4-nonylpiperazin-1-yl)propanethioamide
CID 63341790
2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]propanoic acid
CID 114525897
2-(4-nonanoylpiperazin-1-yl)propanoic acid
CID 62317785
2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
CID 80695764
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
(2S)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]propanoic acid
CID 94397150

Frequently Asked Questions

What is the IUPAC name of 2-(4-nonylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-nonylpiperazin-1-yl)propanoic acid (CID 62310084) is 2-(4-nonylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-nonylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-nonylpiperazin-1-yl)propanoic acid is CCCCCCCCCN1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-(4-nonylpiperazin-1-yl)propanoic acid?
The InChIKey is RFKPKTTVDVAEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)15(2)16(19)20/h15H,3-14H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-nonylpiperazin-1-yl)propanoic acid?
2-(4-nonylpiperazin-1-yl)propanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nonylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 62310084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).