1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid

C23H30N2O5 — CID 2961405

IUPAC1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid
SMILESCCN1CCN(CCCOc2ccccc2-c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2O.C2H2O4/c1-2-22-14-16-23(17-15-22)13-8-18-24-21-12-7-6-11-20(21)19-9-4-3-5-10-19;3-1(4)2(5)6/h3-7,9-12H,2,8,13-18H2,1H3;(H,3,4)(H,5,6)
InChIKeyCRQXTAZMRTVCJP-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.92
Rot. Bonds7

About 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid

1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid (PubChem CID 2961405) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid
PubChem CID2961405
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid
SMILESCCN1CCN(CCCOc2ccccc2-c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2O.C2H2O4/c1-2-22-14-16-23(17-15-22)13-8-18-24-21-12-7-6-11-20(21)19-9-4-3-5-10-19;3-1(4)2(5)6/h3-7,9-12H,2,8,13-18H2,1H3;(H,3,4)(H,5,6)
InChIKeyCRQXTAZMRTVCJP-UHFFFAOYSA-N
XLogP2.92
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-benzylphenoxy)propyl]-4-ethylpiperazine;oxalic acid
CID 2961060
2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
CID 2936091
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 2961785
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
1-ethyl-4-(4-phenylsulfanylbutyl)piperazine;oxalic acid
CID 2961167
2-[3-(4-ethylpiperazin-1-yl)propoxy]benzenecarbothioamide
CID 43290468
oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine
CID 2923477
1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2977898
1-ethyl-4-[3-(4-nitrophenoxy)propyl]piperazine;oxalic acid
CID 2961425

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid?
The IUPAC name of 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid (CID 2961405) is 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid.
What is the SMILES notation for 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid?
The canonical SMILES for 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid is CCN1CCN(CCCOc2ccccc2-c2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid?
The InChIKey is CRQXTAZMRTVCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.C2H2O4/c1-2-22-14-16-23(17-15-22)13-8-18-24-21-12-7-6-11-20(21)19-9-4-3-5-10-19;3-1(4)2(5)6/h3-7,9-12H,2,8,13-18H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid?
1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid has a molecular weight of 414.50 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid is sourced from PubChem (CID 2961405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).