1,4-dibenzylpiperazine-2-carboximidamide

C19H24N4 — CID 10542853

IUPAC1,4-dibenzylpiperazine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H24N4/c20-19(21)18-15-22(13-16-7-3-1-4-8-16)11-12-23(18)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H3,20,21)
InChIKeyISIJLBMFXMIFFH-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.31
Rot. Bonds5

About 1,4-dibenzylpiperazine-2-carboximidamide

1,4-dibenzylpiperazine-2-carboximidamide (PubChem CID 10542853) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1,4-dibenzylpiperazine-2-carboximidamide.

Molecular Properties

Compound Name1,4-dibenzylpiperazine-2-carboximidamide
PubChem CID10542853
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name1,4-dibenzylpiperazine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H24N4/c20-19(21)18-15-22(13-16-7-3-1-4-8-16)11-12-23(18)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H3,20,21)
InChIKeyISIJLBMFXMIFFH-UHFFFAOYSA-N
XLogP2.31
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
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-dibenzylpiperazine-2-carboximidamide?
The IUPAC name of 1,4-dibenzylpiperazine-2-carboximidamide (CID 10542853) is 1,4-dibenzylpiperazine-2-carboximidamide.
What is the SMILES notation for 1,4-dibenzylpiperazine-2-carboximidamide?
The canonical SMILES for 1,4-dibenzylpiperazine-2-carboximidamide is [H]/N=C(\N)C1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 1,4-dibenzylpiperazine-2-carboximidamide?
The InChIKey is ISIJLBMFXMIFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c20-19(21)18-15-22(13-16-7-3-1-4-8-16)11-12-23(18)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H3,20,21).
What are the key properties of 1,4-dibenzylpiperazine-2-carboximidamide?
1,4-dibenzylpiperazine-2-carboximidamide has a molecular weight of 308.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzylpiperazine-2-carboximidamide is sourced from PubChem (CID 10542853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).