4-propylpiperazine-1-carboximidamide

C8H18N4 — CID 18176782

IUPAC4-propylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(CCC)CC1
InChIInChI=1S/C8H18N4/c1-2-3-11-4-6-12(7-5-11)8(9)10/h2-7H2,1H3,(H3,9,10)
InChIKeyZCNSAOFDWOHNDG-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.09
Rot. Bonds2

About 4-propylpiperazine-1-carboximidamide

4-propylpiperazine-1-carboximidamide (PubChem CID 18176782) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-propylpiperazine-1-carboximidamide
PubChem CID18176782
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name4-propylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(CCC)CC1
InChIInChI=1S/C8H18N4/c1-2-3-11-4-6-12(7-5-11)8(9)10/h2-7H2,1H3,(H3,9,10)
InChIKeyZCNSAOFDWOHNDG-UHFFFAOYSA-N
XLogP-0.09
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 4-propylpiperazine-1-carboximidamide?
The IUPAC name of 4-propylpiperazine-1-carboximidamide (CID 18176782) is 4-propylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-propylpiperazine-1-carboximidamide?
The canonical SMILES for 4-propylpiperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(CCC)CC1.
What is the InChIKey of 4-propylpiperazine-1-carboximidamide?
The InChIKey is ZCNSAOFDWOHNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-2-3-11-4-6-12(7-5-11)8(9)10/h2-7H2,1H3,(H3,9,10).
What are the key properties of 4-propylpiperazine-1-carboximidamide?
4-propylpiperazine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 18176782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).