3-(4-propan-2-ylpiperazin-1-yl)butanimidamide

C11H24N4 — CID 60914180

IUPAC3-(4-propan-2-ylpiperazin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H24N4/c1-9(2)14-4-6-15(7-5-14)10(3)8-11(12)13/h9-10H,4-8H2,1-3H3,(H3,12,13)
InChIKeyQBEVOPFCKLINFY-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.73
Rot. Bonds4

About 3-(4-propan-2-ylpiperazin-1-yl)butanimidamide

3-(4-propan-2-ylpiperazin-1-yl)butanimidamide (PubChem CID 60914180) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperazin-1-yl)butanimidamide.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperazin-1-yl)butanimidamide
PubChem CID60914180
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name3-(4-propan-2-ylpiperazin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H24N4/c1-9(2)14-4-6-15(7-5-14)10(3)8-11(12)13/h9-10H,4-8H2,1-3H3,(H3,12,13)
InChIKeyQBEVOPFCKLINFY-UHFFFAOYSA-N
XLogP0.73
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.73
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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Related Compounds

N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide
CID 10656881
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 62967183
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 62967358
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanimidamide
CID 62967530
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 62967531
2-[(4-Butan-2-ylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370709
2-[(3,4-Dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370740
2-[(4-Ethyl-3-methylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370741
2-[(3-Ethyl-4-methylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370742
3,3,3-Trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide
CID 103370836
3,3,3-Trifluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]propanimidamide
CID 113808123
2-[(2,4-Dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 114086954

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
The IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)butanimidamide (CID 60914180) is 3-(4-propan-2-ylpiperazin-1-yl)butanimidamide.
What is the SMILES notation for 3-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
The canonical SMILES for 3-(4-propan-2-ylpiperazin-1-yl)butanimidamide is [H]/N=C(\N)CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
The InChIKey is QBEVOPFCKLINFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-9(2)14-4-6-15(7-5-14)10(3)8-11(12)13/h9-10H,4-8H2,1-3H3,(H3,12,13).
What are the key properties of 3-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
3-(4-propan-2-ylpiperazin-1-yl)butanimidamide has a molecular weight of 212.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperazin-1-yl)butanimidamide is sourced from PubChem (CID 60914180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).