4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride

C8H20Cl2N4 — CID 156599985

IUPAC4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N1CCN(C(C)C)CC1
InChIInChI=1S/C8H18N4.2ClH/c1-7(2)11-3-5-12(6-4-11)8(9)10;;/h7H,3-6H2,1-2H3,(H3,9,10);2*1H
InChIKeyKOZBRLOJADTDEJ-UHFFFAOYSA-N
MW243.18 g/mol
LogP0.75
Rot. Bonds1

About 4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride

4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride (PubChem CID 156599985) has the molecular formula C8H20Cl2N4 and a molecular weight of 243.18 g/mol. Its IUPAC name is 4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride
PubChem CID156599985
Molecular FormulaC8H20Cl2N4
Molecular Weight243.18 g/mol
Exact Mass242.11
IUPAC Name4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N1CCN(C(C)C)CC1
InChIInChI=1S/C8H18N4.2ClH/c1-7(2)11-3-5-12(6-4-11)8(9)10;;/h7H,3-6H2,1-2H3,(H3,9,10);2*1H
InChIKeyKOZBRLOJADTDEJ-UHFFFAOYSA-N
XLogP0.75
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride?
The IUPAC name of 4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride (CID 156599985) is 4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride.
What is the SMILES notation for 4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride?
The canonical SMILES for 4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)N1CCN(C(C)C)CC1.
What is the InChIKey of 4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride?
The InChIKey is KOZBRLOJADTDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4.2ClH/c1-7(2)11-3-5-12(6-4-11)8(9)10;;/h7H,3-6H2,1-2H3,(H3,9,10);2*1H.
What are the key properties of 4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride?
4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride has a molecular weight of 243.18 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 156599985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).