1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid

C19H30N2O6 — CID 2888407

IUPAC1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
SMILESCCc1ccc(OCCOCCN2CCN(C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O2.C2H2O4/c1-3-16-4-6-17(7-5-16)21-15-14-20-13-12-19-10-8-18(2)9-11-19;3-1(4)2(5)6/h4-7H,3,8-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyRMFGGQCJWGYPIR-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.05
Rot. Bonds8

About 1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid

1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid (PubChem CID 2888407) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
PubChem CID2888407
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Name1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
SMILESCCc1ccc(OCCOCCN2CCN(C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O2.C2H2O4/c1-3-16-4-6-17(7-5-16)21-15-14-20-13-12-19-10-8-18(2)9-11-19;3-1(4)2(5)6/h4-7H,3,8-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyRMFGGQCJWGYPIR-UHFFFAOYSA-N
XLogP1.05
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.05
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

1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2995910
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
CID 44828390
1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270536
1-[2-(4-ethylphenoxy)ethoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 16807098
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2888787
1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2902011
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
4-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]butan-2-one;hydrochloride
CID 2993897
(4-ethylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571378
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid?
The IUPAC name of 1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid (CID 2888407) is 1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid.
What is the SMILES notation for 1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid?
The canonical SMILES for 1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid is CCc1ccc(OCCOCCN2CCN(C)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid?
The InChIKey is RMFGGQCJWGYPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.C2H2O4/c1-3-16-4-6-17(7-5-16)21-15-14-20-13-12-19-10-8-18(2)9-11-19;3-1(4)2(5)6/h4-7H,3,8-15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid?
1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid has a molecular weight of 382.46 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid is sourced from PubChem (CID 2888407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).