1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid

C23H30N2O4 — CID 90483325

IUPAC1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
SMILESCCc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2.C2H2O4/c1-3-19-8-10-20(11-9-19)16-22-12-14-23(15-13-22)17-21-7-5-4-6-18(21)2;3-1(4)2(5)6/h4-11H,3,12-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOVNPAMYAALSJQI-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.03
Rot. Bonds5

About 1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid

1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid (PubChem CID 90483325) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
PubChem CID90483325
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
SMILESCCc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2.C2H2O4/c1-3-19-8-10-20(11-9-19)16-22-12-14-23(15-13-22)17-21-7-5-4-6-18(21)2;3-1(4)2(5)6/h4-11H,3,12-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOVNPAMYAALSJQI-UHFFFAOYSA-N
XLogP3.03
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080
1-[(2-bromophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
CID 17367315
1-[(2-methylphenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 90483955
1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
CID 883444
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 2901181
1-[(2-methylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine;oxalic acid
CID 17367306
1-[(2-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 787263
1-benzylsulfonyl-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2900486
4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 58129318

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid (CID 90483325) is 1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid is CCc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
The InChIKey is OVNPAMYAALSJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2.C2H2O4/c1-3-19-8-10-20(11-9-19)16-22-12-14-23(15-13-22)17-21-7-5-4-6-18(21)2;3-1(4)2(5)6/h4-11H,3,12-17H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid?
1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid has a molecular weight of 398.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid is sourced from PubChem (CID 90483325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).