oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

C25H34N2O7 — CID 90483761

IUPACoxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C23H32N2O3.C2H2O4/c1-26-21-17-23(28-3)22(27-2)16-20(21)18-25-14-12-24(13-15-25)11-7-10-19-8-5-4-6-9-19;3-1(4)2(5)6/h4-6,8-9,16-17H,7,10-15,18H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyWTPOXOAOJOVCCR-UHFFFAOYSA-N
MW474.55 g/mol
LogP2.62
Rot. Bonds9

About oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 90483761) has the molecular formula C25H34N2O7 and a molecular weight of 474.55 g/mol. Its IUPAC name is oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Nameoxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID90483761
Molecular FormulaC25H34N2O7
Molecular Weight474.55 g/mol
Exact Mass474.24
IUPAC Nameoxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C23H32N2O3.C2H2O4/c1-26-21-17-23(28-3)22(27-2)16-20(21)18-25-14-12-24(13-15-25)11-7-10-19-8-5-4-6-9-19;3-1(4)2(5)6/h4-6,8-9,16-17H,7,10-15,18H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyWTPOXOAOJOVCCR-UHFFFAOYSA-N
XLogP2.62
TPSA108.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 52.62
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-[(4-bromophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 90486139
oxalic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 2927354
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
1-ethylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 2902257
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
N-hydroxy-4,5-dimethoxy-2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzeneamine oxide
CID 163800884
1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine;oxalic acid
CID 90483959
1-benzyl-4-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]piperazine;oxalic acid
CID 2977131
1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17367068
naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122414
1-methylsulfonyl-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17365969
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (CID 90483761) is oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(OC)c(OC)cc1CN1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is WTPOXOAOJOVCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3.C2H2O4/c1-26-21-17-23(28-3)22(27-2)16-20(21)18-25-14-12-24(13-15-25)11-7-10-19-8-5-4-6-9-19;3-1(4)2(5)6/h4-6,8-9,16-17H,7,10-15,18H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 474.55 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 90483761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).