3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide

C14H20F2N4 — CID 81293618

IUPAC3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCN(CCC)CC2)c(F)c1
InChIInChI=1S/C14H20F2N4/c1-2-3-19-4-6-20(7-5-19)13-11(15)8-10(14(17)18)9-12(13)16/h8-9H,2-7H2,1H3,(H3,17,18)
InChIKeyKEQBHSJPQUZIBR-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.78
Rot. Bonds4

About 3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide

3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 81293618) has the molecular formula C14H20F2N4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide
PubChem CID81293618
Molecular FormulaC14H20F2N4
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCN(CCC)CC2)c(F)c1
InChIInChI=1S/C14H20F2N4/c1-2-3-19-4-6-20(7-5-19)13-11(15)8-10(14(17)18)9-12(13)16/h8-9H,2-7H2,1H3,(H3,17,18)
InChIKeyKEQBHSJPQUZIBR-UHFFFAOYSA-N
XLogP1.78
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.78
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 3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide (CID 81293618) is 3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N2CCN(CCC)CC2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is KEQBHSJPQUZIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4/c1-2-3-19-4-6-20(7-5-19)13-11(15)8-10(14(17)18)9-12(13)16/h8-9H,2-7H2,1H3,(H3,17,18).
What are the key properties of 3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide?
3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 282.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 81293618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).