1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid

C18H28N2O6 — CID 2888787

IUPAC1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
SMILESCc1ccccc1OCCOCCN1CCN(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H26N2O2.C2H2O4/c1-15-5-3-4-6-16(15)20-14-13-19-12-11-18-9-7-17(2)8-10-18;3-1(4)2(5)6/h3-6H,7-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyFQFYYCSCBXGYJZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP0.79
Rot. Bonds7

About 1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid

1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid (PubChem CID 2888787) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
PubChem CID2888787
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
SMILESCc1ccccc1OCCOCCN1CCN(C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H26N2O2.C2H2O4/c1-15-5-3-4-6-16(15)20-14-13-19-12-11-18-9-7-17(2)8-10-18;3-1(4)2(5)6/h3-6H,7-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyFQFYYCSCBXGYJZ-UHFFFAOYSA-N
XLogP0.79
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 50.79
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

[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
CID 2888407
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2298053
N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110638269
1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2996315
1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270787
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
CID 44828390
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 86977989
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2924003
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The IUPAC name of 1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid (CID 2888787) is 1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid.
What is the SMILES notation for 1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The canonical SMILES for 1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid is Cc1ccccc1OCCOCCN1CCN(C)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The InChIKey is FQFYYCSCBXGYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.C2H2O4/c1-15-5-3-4-6-16(15)20-14-13-19-12-11-18-9-7-17(2)8-10-18;3-1(4)2(5)6/h3-6H,7-14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid?
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid has a molecular weight of 368.43 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid is sourced from PubChem (CID 2888787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).