2-piperazin-1-ylbutanimidamide

C8H18N4 — CID 54261988

IUPAC2-piperazin-1-ylbutanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCNCC1
InChIInChI=1S/C8H18N4/c1-2-7(8(9)10)12-5-3-11-4-6-12/h7,11H,2-6H2,1H3,(H3,9,10)
InChIKeyHSEOPFZFBWHRLF-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.39
Rot. Bonds3

About 2-piperazin-1-ylbutanimidamide

2-piperazin-1-ylbutanimidamide (PubChem CID 54261988) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-piperazin-1-ylbutanimidamide.

Molecular Properties

Compound Name2-piperazin-1-ylbutanimidamide
PubChem CID54261988
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2-piperazin-1-ylbutanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCNCC1
InChIInChI=1S/C8H18N4/c1-2-7(8(9)10)12-5-3-11-4-6-12/h7,11H,2-6H2,1H3,(H3,9,10)
InChIKeyHSEOPFZFBWHRLF-UHFFFAOYSA-N
XLogP-0.39
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
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 2-piperazin-1-ylbutanimidamide?
The IUPAC name of 2-piperazin-1-ylbutanimidamide (CID 54261988) is 2-piperazin-1-ylbutanimidamide.
What is the SMILES notation for 2-piperazin-1-ylbutanimidamide?
The canonical SMILES for 2-piperazin-1-ylbutanimidamide is [H]/N=C(\N)C(CC)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylbutanimidamide?
The InChIKey is HSEOPFZFBWHRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-2-7(8(9)10)12-5-3-11-4-6-12/h7,11H,2-6H2,1H3,(H3,9,10).
What are the key properties of 2-piperazin-1-ylbutanimidamide?
2-piperazin-1-ylbutanimidamide has a molecular weight of 170.26 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylbutanimidamide is sourced from PubChem (CID 54261988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).