1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid

C20H25N3O5 — CID 17367073

IUPAC1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
SMILESCOc1cccc(CN2CCN(Cc3cccnc3)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H23N3O.C2H2O4/c1-22-18-6-2-4-16(12-18)14-20-8-10-21(11-9-20)15-17-5-3-7-19-13-17;3-1(4)2(5)6/h2-7,12-13H,8-11,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyMIMRIMKPPKRZEF-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.56
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid

1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid (PubChem CID 17367073) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
PubChem CID17367073
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
SMILESCOc1cccc(CN2CCN(Cc3cccnc3)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H23N3O.C2H2O4/c1-22-18-6-2-4-16(12-18)14-20-8-10-21(11-9-20)15-17-5-3-7-19-13-17;3-1(4)2(5)6/h2-7,12-13H,8-11,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyMIMRIMKPPKRZEF-UHFFFAOYSA-N
XLogP1.56
TPSA103.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637
3-(3,5-dimethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134033185
oxalic acid;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperazine
CID 2879902
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 126476545
(3S,4R)-4-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 70738871
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid (CID 17367073) is 1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid is COc1cccc(CN2CCN(Cc3cccnc3)CC2)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid?
The InChIKey is MIMRIMKPPKRZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.C2H2O4/c1-22-18-6-2-4-16(12-18)14-20-8-10-21(11-9-20)15-17-5-3-7-19-13-17;3-1(4)2(5)6/h2-7,12-13H,8-11,14-15H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid?
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid has a molecular weight of 387.44 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid is sourced from PubChem (CID 17367073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).