dodecanoic acid;1-propan-2-ylpiperazine

C19H40N2O2 — CID 175450596

IUPACdodecanoic acid;1-propan-2-ylpiperazine
SMILESCC(C)N1CCNCC1.CCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2.C7H16N2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-7(2)9-5-3-8-4-6-9/h2-11H2,1H3,(H,13,14);7-8H,3-6H2,1-2H3
InChIKeyKJAJRWVJGUWRGC-UHFFFAOYSA-N
MW328.54 g/mol
LogP4.29
Rot. Bonds11

About dodecanoic acid;1-propan-2-ylpiperazine

dodecanoic acid;1-propan-2-ylpiperazine (PubChem CID 175450596) has the molecular formula C19H40N2O2 and a molecular weight of 328.54 g/mol. Its IUPAC name is dodecanoic acid;1-propan-2-ylpiperazine.

Molecular Properties

Compound Namedodecanoic acid;1-propan-2-ylpiperazine
PubChem CID175450596
Molecular FormulaC19H40N2O2
Molecular Weight328.54 g/mol
Exact Mass328.31
IUPAC Namedodecanoic acid;1-propan-2-ylpiperazine
SMILESCC(C)N1CCNCC1.CCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2.C7H16N2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-7(2)9-5-3-8-4-6-9/h2-11H2,1H3,(H,13,14);7-8H,3-6H2,1-2H3
InChIKeyKJAJRWVJGUWRGC-UHFFFAOYSA-N
XLogP4.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

piperazine;tetradecanoic acid
CID 54603068
decanoic acid;piperidine
CID 173189306
azepane;dodecanoic acid
CID 173452223
chromium;docosanoic acid
CID 88805724
calcium;hydride;nonacosanoic acid
CID 173321722
calcium;hydride;tritriacontanoic acid
CID 173321714
calcium;hydride;bis(octanoic acid)
CID 174951959
calcium;dodecanoic acid;hydride
CID 172998116
docosanoic acid;tetradecane
CID 157248197
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;1-propan-2-ylpiperazine?
The IUPAC name of dodecanoic acid;1-propan-2-ylpiperazine (CID 175450596) is dodecanoic acid;1-propan-2-ylpiperazine.
What is the SMILES notation for dodecanoic acid;1-propan-2-ylpiperazine?
The canonical SMILES for dodecanoic acid;1-propan-2-ylpiperazine is CC(C)N1CCNCC1.CCCCCCCCCCCC(=O)O.
What is the InChIKey of dodecanoic acid;1-propan-2-ylpiperazine?
The InChIKey is KJAJRWVJGUWRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C7H16N2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-7(2)9-5-3-8-4-6-9/h2-11H2,1H3,(H,13,14);7-8H,3-6H2,1-2H3.
What are the key properties of dodecanoic acid;1-propan-2-ylpiperazine?
dodecanoic acid;1-propan-2-ylpiperazine has a molecular weight of 328.54 g/mol, XLogP of 4.29, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;1-propan-2-ylpiperazine is sourced from PubChem (CID 175450596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).