oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine

C19H30N2O6 — CID 2922565

IUPACoxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine
SMILESCc1cc(C)c(OCCOCCN2CCNCC2)c(C)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O2.C2H2O4/c1-14-12-15(2)17(16(3)13-14)21-11-10-20-9-8-19-6-4-18-5-7-19;3-1(4)2(5)6/h12-13,18H,4-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyPGWLYLLFCORLOK-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.07
Rot. Bonds7

About oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine

oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine (PubChem CID 2922565) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Nameoxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine
PubChem CID2922565
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Nameoxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine
SMILESCc1cc(C)c(OCCOCCN2CCNCC2)c(C)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O2.C2H2O4/c1-14-12-15(2)17(16(3)13-14)21-11-10-20-9-8-19-6-4-18-5-7-19;3-1(4)2(5)6/h12-13,18H,4-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyPGWLYLLFCORLOK-UHFFFAOYSA-N
XLogP1.07
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-{2-[2-(2-Biphenylyloxy)ethoxy]ethyl}morpholine oxalate
CID 2923755
4-[2-(2,6-Dimethylphenoxy)ethyl]morpholine oxalate
CID 2848544
N-benzyl-2-(2,4-dimethylphenoxy)ethanamine oxalate
CID 2923269
1-[4-(2,3,6-Trimethylphenoxy)butyl]piperazine oxalate
CID 2924188
N-benzyl-2-(mesityloxy)ethanamine oxalate
CID 2934119
1-[4-(2,6-Dimethylphenoxy)butyl]piperazine oxalate
CID 2943979
1-{[2-(2-Biphenylyloxy)ethyl]amino}-2-propanol ethanedioate (salt)
CID 2977357
1-{[2-(2-Methylphenoxy)ethyl]amino}-2-propanol ethanedioate (salt)
CID 2977842
4-Methylphenyl 6-(1-piperazinyl)hexyl ether
CID 23723896
1-[2-[2-(2,6-Dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2269434
Ethyl 4-[2-hydroxy-3-(mesityloxy)propyl]piperazine-1-carboxylate
CID 2770635
1-{2-[2-(2-Tert-butyl-4-methylphenoxy)ethoxy]ethyl}-4-methylpiperazine oxalate
CID 2888299

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine?
The IUPAC name of oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine (CID 2922565) is oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine.
What is the SMILES notation for oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine?
The canonical SMILES for oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine is Cc1cc(C)c(OCCOCCN2CCNCC2)c(C)c1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine?
The InChIKey is PGWLYLLFCORLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.C2H2O4/c1-14-12-15(2)17(16(3)13-14)21-11-10-20-9-8-19-6-4-18-5-7-19;3-1(4)2(5)6/h12-13,18H,4-11H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine?
oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine has a molecular weight of 382.46 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperazine is sourced from PubChem (CID 2922565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).