piperazine;tetradecanoic acid

C18H38N2O2 — CID 54603068

IUPACpiperazine;tetradecanoic acid
SMILESC1CNCCN1.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C4H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-6-4-3-5-1/h2-13H2,1H3,(H,15,16);5-6H,1-4H2
InChIKeyJDHLNEKZJKNDHL-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.95
Rot. Bonds12

About piperazine;tetradecanoic acid

piperazine;tetradecanoic acid (PubChem CID 54603068) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is piperazine;tetradecanoic acid.

Molecular Properties

Compound Namepiperazine;tetradecanoic acid
PubChem CID54603068
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Namepiperazine;tetradecanoic acid
SMILESC1CNCCN1.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C4H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-6-4-3-5-1/h2-13H2,1H3,(H,15,16);5-6H,1-4H2
InChIKeyJDHLNEKZJKNDHL-UHFFFAOYSA-N
XLogP3.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze piperazine;tetradecanoic 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

decanoic acid;piperidine
CID 173189306
azepane;dodecanoic acid
CID 173452223
chromium;docosanoic acid
CID 88805724
calcium;hydride;tritriacontanoic acid
CID 173321714
calcium;hydride;nonacosanoic acid
CID 173321722
calcium;hydride;bis(octanoic acid)
CID 174951959
calcium;dodecanoic acid;hydride
CID 172998116
docosanoic acid;tetradecane
CID 157248197
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075

Frequently Asked Questions

What is the IUPAC name of piperazine;tetradecanoic acid?
The IUPAC name of piperazine;tetradecanoic acid (CID 54603068) is piperazine;tetradecanoic acid.
What is the SMILES notation for piperazine;tetradecanoic acid?
The canonical SMILES for piperazine;tetradecanoic acid is C1CNCCN1.CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of piperazine;tetradecanoic acid?
The InChIKey is JDHLNEKZJKNDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C4H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-6-4-3-5-1/h2-13H2,1H3,(H,15,16);5-6H,1-4H2.
What are the key properties of piperazine;tetradecanoic acid?
piperazine;tetradecanoic acid has a molecular weight of 314.51 g/mol, XLogP of 3.95, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;tetradecanoic acid is sourced from PubChem (CID 54603068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).