5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide

C16H24BrN3 — CID 114893031

IUPAC5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N1CCC(CC)(CC)CC1
InChIInChI=1S/C16H24BrN3/c1-3-16(4-2)7-9-20(10-8-16)14-6-5-12(17)11-13(14)15(18)19/h5-6,11H,3-4,7-10H2,1-2H3,(H3,18,19)
InChIKeyGHVGQASXXUSGOP-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.14
Rot. Bonds4

About 5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide

5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 114893031) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide
PubChem CID114893031
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N1CCC(CC)(CC)CC1
InChIInChI=1S/C16H24BrN3/c1-3-16(4-2)7-9-20(10-8-16)14-6-5-12(17)11-13(14)15(18)19/h5-6,11H,3-4,7-10H2,1-2H3,(H3,18,19)
InChIKeyGHVGQASXXUSGOP-UHFFFAOYSA-N
XLogP4.14
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide (CID 114893031) is 5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1N1CCC(CC)(CC)CC1.
What is the InChIKey of 5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is GHVGQASXXUSGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-3-16(4-2)7-9-20(10-8-16)14-6-5-12(17)11-13(14)15(18)19/h5-6,11H,3-4,7-10H2,1-2H3,(H3,18,19).
What are the key properties of 5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide?
5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 338.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114893031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).