3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide

C15H23FN4 — CID 24709254

IUPAC3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCN(CCC)CC2)c(F)c1
InChIInChI=1S/C15H23FN4/c1-2-5-19-6-8-20(9-7-19)11-13-4-3-12(15(17)18)10-14(13)16/h3-4,10H,2,5-9,11H2,1H3,(H3,17,18)
InChIKeyZYULSQHCGCYUEM-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.64
Rot. Bonds5

About 3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide

3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide (PubChem CID 24709254) has the molecular formula C15H23FN4 and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide
PubChem CID24709254
Molecular FormulaC15H23FN4
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC Name3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCN(CCC)CC2)c(F)c1
InChIInChI=1S/C15H23FN4/c1-2-5-19-6-8-20(9-7-19)11-13-4-3-12(15(17)18)10-14(13)16/h3-4,10H,2,5-9,11H2,1H3,(H3,17,18)
InChIKeyZYULSQHCGCYUEM-UHFFFAOYSA-N
XLogP1.64
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide (CID 24709254) is 3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCN(CCC)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is ZYULSQHCGCYUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-2-5-19-6-8-20(9-7-19)11-13-4-3-12(15(17)18)10-14(13)16/h3-4,10H,2,5-9,11H2,1H3,(H3,17,18).
What are the key properties of 3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide?
3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 278.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 24709254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).