4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C14H21FN4O — CID 24705768

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN1CCN(Cc2ccc(/C(N)=N/O)cc2F)CC1
InChIInChI=1S/C14H21FN4O/c1-2-18-5-7-19(8-6-18)10-12-4-3-11(9-13(12)15)14(16)17-20/h3-4,9,20H,2,5-8,10H2,1H3,(H2,16,17)
InChIKeyOMRAGOIAACITOM-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.06
Rot. Bonds4

About 4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 24705768) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID24705768
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCN1CCN(Cc2ccc(/C(N)=N/O)cc2F)CC1
InChIInChI=1S/C14H21FN4O/c1-2-18-5-7-19(8-6-18)10-12-4-3-11(9-13(12)15)14(16)17-20/h3-4,9,20H,2,5-8,10H2,1H3,(H2,16,17)
InChIKeyOMRAGOIAACITOM-UHFFFAOYSA-N
XLogP1.06
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 24705768) is 4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is CCN1CCN(Cc2ccc(/C(N)=N/O)cc2F)CC1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is OMRAGOIAACITOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-2-18-5-7-19(8-6-18)10-12-4-3-11(9-13(12)15)14(16)17-20/h3-4,9,20H,2,5-8,10H2,1H3,(H2,16,17).
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 280.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 24705768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).