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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Related Compounds

4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-3-fluorobenzenecarboximidamide
CID 79188251
3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 81293618
3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 55130589
3-fluoro-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 63207857
4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 24705768
3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide
CID 114813290
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483551
3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253607
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-methylbenzenecarboximidamide
CID 114483448
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483527
3-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 61226960
3-chloro-4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 102667805

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).