1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid

C18H28N2O6 — CID 2943850

IUPAC1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
SMILESCCOc1ccc(OCCCCN2CCNCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H26N2O2.C2H2O4/c1-2-19-15-5-7-16(8-6-15)20-14-4-3-11-18-12-9-17-10-13-18;3-1(4)2(5)6/h5-8,17H,2-4,9-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyPCHFYLMZQCFXRX-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.31
Rot. Bonds8

About 1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid

1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid (PubChem CID 2943850) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
PubChem CID2943850
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
SMILESCCOc1ccc(OCCCCN2CCNCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H26N2O2.C2H2O4/c1-2-19-15-5-7-16(8-6-15)20-14-4-3-11-18-12-9-17-10-13-18;3-1(4)2(5)6/h5-8,17H,2-4,9-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyPCHFYLMZQCFXRX-UHFFFAOYSA-N
XLogP1.31
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.31
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

oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
oxalic acid;1-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 2944148
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane
CID 43162465
oxalic acid;1-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine
CID 2944466
1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
CID 2195083
1-(3-phenoxypropyl)piperazine
CID 2760351
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride
CID 54605432
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid?
The IUPAC name of 1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid (CID 2943850) is 1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid?
The canonical SMILES for 1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid is CCOc1ccc(OCCCCN2CCNCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid?
The InChIKey is PCHFYLMZQCFXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.C2H2O4/c1-2-19-15-5-7-16(8-6-15)20-14-4-3-11-18-12-9-17-10-13-18;3-1(4)2(5)6/h5-8,17H,2-4,9-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid?
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid has a molecular weight of 368.43 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid is sourced from PubChem (CID 2943850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).