4-propan-2-ylpiperazine-1-carboximidamide

C8H18N4 — CID 2759510

IUPAC4-propan-2-ylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C(C)C)CC1
InChIInChI=1S/C8H18N4/c1-7(2)11-3-5-12(6-4-11)8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyWLQWTDSLRYOIHJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.09
Rot. Bonds1

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

4-propan-2-ylpiperazine-1-carboximidamide (PubChem CID 2759510) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-propan-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-propan-2-ylpiperazine-1-carboximidamide
PubChem CID2759510
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name4-propan-2-ylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C(C)C)CC1
InChIInChI=1S/C8H18N4/c1-7(2)11-3-5-12(6-4-11)8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyWLQWTDSLRYOIHJ-UHFFFAOYSA-N
XLogP-0.09
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.09
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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Related Compounds

4-Methylpiperazine-1-carboximidamide
CID 2760028
1-Piperazinecarboxamidine, 4-(2-(diethylamino)ethyl)-
CID 3069720
4-Ethylpiperazine-1-carboximidamide
CID 4885940
N-[amino(imino)methyl]-4-methylpiperazine-1-carboximidamide
CID 10285845
(2S)-2-methylpiperazine-1-carboximidamide
CID 11171038
4-Propylpiperazine-1-carboximidamide
CID 18176782
3-Methylpiperazine-1-carboximidamide
CID 20159883
2,5-Dimethylpiperazine-1-carboximidamide
CID 20159928
3-Methyl-4-(2-methylbutyl)piperazine-1-carboximidamide
CID 20284341
4-Methylpiperazine-1-carboximidamide hydroiodide
CID 20284359
4-Ethyl-3-pentylpiperazine-1-carboximidamide
CID 20284366
3-Ethyl-4-propylpiperazine-1-carboximidamide
CID 20284369

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpiperazine-1-carboximidamide?
The IUPAC name of 4-propan-2-ylpiperazine-1-carboximidamide (CID 2759510) is 4-propan-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-propan-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for 4-propan-2-ylpiperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(C(C)C)CC1.
What is the InChIKey of 4-propan-2-ylpiperazine-1-carboximidamide?
The InChIKey is WLQWTDSLRYOIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-7(2)11-3-5-12(6-4-11)8(9)10/h7H,3-6H2,1-2H3,(H3,9,10).
What are the key properties of 4-propan-2-ylpiperazine-1-carboximidamide?
4-propan-2-ylpiperazine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of -0.09, 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 is sourced from PubChem (CID 2759510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).