1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid

C23H30N2O7 — CID 17367068

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid
SMILESCOc1ccccc1CN1CCN(Cc2ccc(OC)c(OC)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2O3.C2H2O4/c1-24-19-7-5-4-6-18(19)16-23-12-10-22(11-13-23)15-17-8-9-20(25-2)21(14-17)26-3;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKIKKUPJYCJYURB-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.19
Rot. Bonds7

About 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid

1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid (PubChem CID 17367068) has the molecular formula C23H30N2O7 and a molecular weight of 446.50 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid
PubChem CID17367068
Molecular FormulaC23H30N2O7
Molecular Weight446.50 g/mol
Exact Mass446.21
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid
SMILESCOc1ccccc1CN1CCN(Cc2ccc(OC)c(OC)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H28N2O3.C2H2O4/c1-24-19-7-5-4-6-18(19)16-23-12-10-22(11-13-23)15-17-8-9-20(25-2)21(14-17)26-3;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKIKKUPJYCJYURB-UHFFFAOYSA-N
XLogP2.19
TPSA108.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
(3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17385004
4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 2901135
(2,6-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366613
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 2880183
1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
CID 876499
1-[(2-chlorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 126476486
4-bromo-2-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol;oxalic acid
CID 17367362
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid (CID 17367068) is 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid is COc1ccccc1CN1CCN(Cc2ccc(OC)c(OC)c2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid?
The InChIKey is KIKKUPJYCJYURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.C2H2O4/c1-24-19-7-5-4-6-18(19)16-23-12-10-22(11-13-23)15-17-8-9-20(25-2)21(14-17)26-3;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid?
1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid has a molecular weight of 446.50 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid is sourced from PubChem (CID 17367068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).