4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide

C15H23FN4 — CID 61433267

IUPAC4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C15H23FN4/c1-15(2,3)20-8-6-19(7-9-20)13-5-4-11(14(17)18)10-12(13)16/h4-5,10H,6-9H2,1-3H3,(H3,17,18)
InChIKeyYPLCPSSCQYSGAZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.03
Rot. Bonds2

About 4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide

4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide (PubChem CID 61433267) has the molecular formula C15H23FN4 and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
PubChem CID61433267
Molecular FormulaC15H23FN4
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C15H23FN4/c1-15(2,3)20-8-6-19(7-9-20)13-5-4-11(14(17)18)10-12(13)16/h4-5,10H,6-9H2,1-3H3,(H3,17,18)
InChIKeyYPLCPSSCQYSGAZ-UHFFFAOYSA-N
XLogP2.03
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.03
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

3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253607
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide
CID 61441546
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493
4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide
CID 55050286
2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide
CID 63092167
3-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625734
3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417637
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66391530
tert-butyl 4-(5-carbamimidoyl-2-fluorophenyl)piperazine-1-carboxylate
CID 154546000
4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide
CID 43658320
2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide
CID 81300125

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide (CID 61433267) is 4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCN(C(C)(C)C)CC2)c(F)c1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide?
The InChIKey is YPLCPSSCQYSGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-15(2,3)20-8-6-19(7-9-20)13-5-4-11(14(17)18)10-12(13)16/h4-5,10H,6-9H2,1-3H3,(H3,17,18).
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide?
4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide has a molecular weight of 278.38 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 61433267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).