5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide

C15H23BrN4 — CID 114892967

IUPAC5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N(C)C1CCN(CC)CC1
InChIInChI=1S/C15H23BrN4/c1-3-20-8-6-12(7-9-20)19(2)14-5-4-11(16)10-13(14)15(17)18/h4-5,10,12H,3,6-9H2,1-2H3,(H3,17,18)
InChIKeyWXESGGOWLPOBNB-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.65
Rot. Bonds4

About 5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide

5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide (PubChem CID 114892967) has the molecular formula C15H23BrN4 and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
PubChem CID114892967
Molecular FormulaC15H23BrN4
Molecular Weight339.28 g/mol
Exact Mass338.11
IUPAC Name5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N(C)C1CCN(CC)CC1
InChIInChI=1S/C15H23BrN4/c1-3-20-8-6-12(7-9-20)19(2)14-5-4-11(16)10-13(14)15(17)18/h4-5,10,12H,3,6-9H2,1-2H3,(H3,17,18)
InChIKeyWXESGGOWLPOBNB-UHFFFAOYSA-N
XLogP2.65
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.65
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

5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 62494113
5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarbothioamide
CID 114891586
5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide
CID 114892861
5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892387
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029
5-bromo-2-(dibutylamino)benzenecarboximidamide
CID 114892850
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide
CID 114904512
5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 114892966
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 62306905
4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 114904389
4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496258

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide?
The IUPAC name of 5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide (CID 114892967) is 5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1N(C)C1CCN(CC)CC1.
What is the InChIKey of 5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide?
The InChIKey is WXESGGOWLPOBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4/c1-3-20-8-6-12(7-9-20)19(2)14-5-4-11(16)10-13(14)15(17)18/h4-5,10,12H,3,6-9H2,1-2H3,(H3,17,18).
What are the key properties of 5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide?
5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide has a molecular weight of 339.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide is sourced from PubChem (CID 114892967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).