1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid

C23H30N2O6 — CID 44828390

IUPAC1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CN2CCN(CCOCCOc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O2.C2H2O4/c1-3-7-20(8-4-1)19-23-13-11-22(12-14-23)15-16-24-17-18-25-21-9-5-2-6-10-21;3-1(4)2(5)6/h1-10H,11-19H2;(H,3,4)(H,5,6)
InChIKeyPHZFCOJDALWXFC-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.06
Rot. Bonds9

About 1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid

1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid (PubChem CID 44828390) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
PubChem CID44828390
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CN2CCN(CCOCCOc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O2.C2H2O4/c1-3-7-20(8-4-1)19-23-13-11-22(12-14-23)15-16-24-17-18-25-21-9-5-2-6-10-21;3-1(4)2(5)6/h1-10H,11-19H2;(H,3,4)(H,5,6)
InChIKeyPHZFCOJDALWXFC-UHFFFAOYSA-N
XLogP2.06
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.06
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-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
CID 2888407
4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
CID 18526260
1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2977898
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2995910
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
2-(4-benzylpiperazin-1-yl)ethyl benzoate
CID 24842101
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2888787
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine
CID 142409443
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid?
The IUPAC name of 1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid (CID 44828390) is 1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid.
What is the SMILES notation for 1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid?
The canonical SMILES for 1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid is O=C(O)C(=O)O.c1ccc(CN2CCN(CCOCCOc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid?
The InChIKey is PHZFCOJDALWXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.C2H2O4/c1-3-7-20(8-4-1)19-23-13-11-22(12-14-23)15-16-24-17-18-25-21-9-5-2-6-10-21;3-1(4)2(5)6/h1-10H,11-19H2;(H,3,4)(H,5,6).
What are the key properties of 1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid?
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid has a molecular weight of 430.50 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid is sourced from PubChem (CID 44828390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).