1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid

C19H30N2O6 — CID 2887641

IUPAC1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
SMILESCc1cccc(C)c1OCCOCCN1CCN(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O2.C2H2O4/c1-15-5-4-6-16(2)17(15)21-14-13-20-12-11-19-9-7-18(3)8-10-19;3-1(4)2(5)6/h4-6H,7-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyRAJHZUKBDGJTOE-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.10
Rot. Bonds7

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

1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid (PubChem CID 2887641) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
PubChem CID2887641
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Name1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
SMILESCc1cccc(C)c1OCCOCCN1CCN(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O2.C2H2O4/c1-15-5-4-6-16(2)17(15)21-14-13-20-12-11-19-9-7-18(3)8-10-19;3-1(4)2(5)6/h4-6H,7-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyRAJHZUKBDGJTOE-UHFFFAOYSA-N
XLogP1.10
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.10
H-Bond Donors ≤ 52
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
1-[4-(2,5-Dimethylphenoxy)butyl]piperidine oxalate
CID 2848306
4-[2-(2,6-Dimethylphenoxy)ethyl]morpholine oxalate
CID 2848544
1-[4-(2,3,6-Trimethylphenoxy)butyl]piperazine oxalate
CID 2924188
1-[4-(2,6-Dimethylphenoxy)butyl]piperazine oxalate
CID 2943979
alpha-((2,6-Xylyloxy)methyl)-1-piperidineethanol hydrochloride
CID 16196098
1-[4-(2-Hydroxy-3-o-tolyloxy-propyl)-piperazin-1-yl]-3-o-tolyloxy-propan-2-ol
CID 2879592
1-[2-[2-(2,6-Dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2269434
Ethyl 4-[3-(2-allylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 2770589
Ethyl 4-[2-hydroxy-3-(mesityloxy)propyl]piperazine-1-carboxylate
CID 2770635
1-[3-(2,4-Dimethylphenoxy)propyl]pyrrolidine oxalate
CID 2843683
1-{2-[2-(2-Tert-butyl-4-methylphenoxy)ethoxy]ethyl}-4-methylpiperazine oxalate
CID 2888299

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid?
The IUPAC name of 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid (CID 2887641) is 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid.
What is the SMILES notation for 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid?
The canonical SMILES for 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid is Cc1cccc(C)c1OCCOCCN1CCN(C)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid?
The InChIKey is RAJHZUKBDGJTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.C2H2O4/c1-15-5-4-6-16(2)17(15)21-14-13-20-12-11-19-9-7-18(3)8-10-19;3-1(4)2(5)6/h4-6H,7-14H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid?
1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid has a molecular weight of 382.46 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid is sourced from PubChem (CID 2887641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).