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

C16H23FN2O6 — CID 2922713

IUPAC1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid
SMILESFc1ccc(OCCOCCN2CCNCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C14H21FN2O2.C2H2O4/c15-13-1-3-14(4-2-13)19-12-11-18-10-9-17-7-5-16-6-8-17;3-1(4)2(5)6/h1-4,16H,5-12H2;(H,3,4)(H,5,6)
InChIKeyDUAYSZFVULUVSQ-UHFFFAOYSA-N
MW358.37 g/mol
LogP0.28
Rot. Bonds7

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

1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid (PubChem CID 2922713) has the molecular formula C16H23FN2O6 and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid
PubChem CID2922713
Molecular FormulaC16H23FN2O6
Molecular Weight358.37 g/mol
Exact Mass358.15
IUPAC Name1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid
SMILESFc1ccc(OCCOCCN2CCNCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C14H21FN2O2.C2H2O4/c15-13-1-3-14(4-2-13)19-12-11-18-10-9-17-7-5-16-6-8-17;3-1(4)2(5)6/h1-4,16H,5-12H2;(H,3,4)(H,5,6)
InChIKeyDUAYSZFVULUVSQ-UHFFFAOYSA-N
XLogP0.28
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 50.28
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

2-(4-(2-(((2R)-2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)acetic acid
CID 6604779
1-[4-(4-Methoxyphenoxy)-2-butyn-1-yl]piperazine oxalate
CID 2944133
Ici 215001
CID 164451
1-(2-Phenoxyethyl)piperazine
CID 233187
1-(Phenoxyacetyl)piperazine
CID 771959
1-Phenoxy-3-piperazinopropan-2-ol
CID 2802152
N-{2-[2-(2-fluorophenoxy)ethoxy]ethyl}-2-propanamine oxalate
CID 2869880
1-[2-(4-Ethoxyphenoxy)ethyl]piperidine oxalate
CID 2922768
4-{2-[2-(4-Ethoxyphenoxy)ethoxy]ethyl}morpholine oxalate
CID 2923074
N-allyl-N-(2-phenoxyethyl)-2-propen-1-amine oxalate
CID 2923596
N-{2-[2-(4-fluorophenoxy)ethoxy]ethyl}-2-butanamine oxalate
CID 2934155
4-[4-(4-Fluorophenoxy)butyl]-2,6-dimethylmorpholine oxalate
CID 2935896

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The IUPAC name of 1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid (CID 2922713) is 1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The canonical SMILES for 1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid is Fc1ccc(OCCOCCN2CCNCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid?
The InChIKey is DUAYSZFVULUVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2.C2H2O4/c15-13-1-3-14(4-2-13)19-12-11-18-10-9-17-7-5-16-6-8-17;3-1(4)2(5)6/h1-4,16H,5-12H2;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid?
1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid has a molecular weight of 358.37 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperazine;oxalic acid is sourced from PubChem (CID 2922713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).