1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide

C20H26N4 — CID 10591958

IUPAC1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide
SMILESC/N=C(\N)C1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H26N4/c1-22-20(21)19-16-23(14-17-8-4-2-5-9-17)12-13-24(19)15-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H2,21,22)
InChIKeyAYYJOMJXIZOOMC-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.36
Rot. Bonds5

About 1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide

1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide (PubChem CID 10591958) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide.

Molecular Properties

Compound Name1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide
PubChem CID10591958
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide
SMILESC/N=C(\N)C1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H26N4/c1-22-20(21)19-16-23(14-17-8-4-2-5-9-17)12-13-24(19)15-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H2,21,22)
InChIKeyAYYJOMJXIZOOMC-UHFFFAOYSA-N
XLogP2.36
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide?
The IUPAC name of 1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide (CID 10591958) is 1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide.
What is the SMILES notation for 1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide?
The canonical SMILES for 1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide is C/N=C(\N)C1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide?
The InChIKey is AYYJOMJXIZOOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-22-20(21)19-16-23(14-17-8-4-2-5-9-17)12-13-24(19)15-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H2,21,22).
What are the key properties of 1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide?
1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide has a molecular weight of 322.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide is sourced from PubChem (CID 10591958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).