1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid

C24H32N2O5 — CID 2902011

IUPAC1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
SMILESCCOc1ccc(CN2CCN(Cc3ccc(CC)cc3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C22H30N2O.C2H2O4/c1-3-19-5-7-20(8-6-19)17-23-13-15-24(16-14-23)18-21-9-11-22(12-10-21)25-4-2;3-1(4)2(5)6/h5-12H,3-4,13-18H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIESUUJZZBRQDBY-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.12
Rot. Bonds7

About 1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid

1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid (PubChem CID 2902011) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
PubChem CID2902011
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
SMILESCCOc1ccc(CN2CCN(Cc3ccc(CC)cc3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C22H30N2O.C2H2O4/c1-3-19-5-7-20(8-6-19)17-23-13-15-24(16-14-23)18-21-9-11-22(12-10-21)25-4-2;3-1(4)2(5)6/h5-12H,3-4,13-18H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIESUUJZZBRQDBY-UHFFFAOYSA-N
XLogP3.12
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chlorophenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366705
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17365974
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
4-bromo-2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol;oxalic acid
CID 17367371
3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 30750718
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 2878210
1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 2901181
1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328544
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 2881274

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid (CID 2902011) is 1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid is CCOc1ccc(CN2CCN(Cc3ccc(CC)cc3)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid?
The InChIKey is IESUUJZZBRQDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O.C2H2O4/c1-3-19-5-7-20(8-6-19)17-23-13-15-24(16-14-23)18-21-9-11-22(12-10-21)25-4-2;3-1(4)2(5)6/h5-12H,3-4,13-18H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid?
1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid has a molecular weight of 428.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid is sourced from PubChem (CID 2902011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).