2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide

C15H22BrN3 — CID 107279406

IUPAC2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)CC(C)C2C)cc1Br
InChIInChI=1S/C15H22BrN3/c1-9-6-10(2)11(3)19(8-9)12-4-5-13(15(17)18)14(16)7-12/h4-5,7,9-11H,6,8H2,1-3H3,(H3,17,18)
InChIKeyIXDTVLBYZFWTHW-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.60
Rot. Bonds2

About 2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide

2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 107279406) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
PubChem CID107279406
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)CC(C)C2C)cc1Br
InChIInChI=1S/C15H22BrN3/c1-9-6-10(2)11(3)19(8-9)12-4-5-13(15(17)18)14(16)7-12/h4-5,7,9-11H,6,8H2,1-3H3,(H3,17,18)
InChIKeyIXDTVLBYZFWTHW-UHFFFAOYSA-N
XLogP3.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.60
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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Related Compounds

2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593511
2-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 107279407
2-bromo-4-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107279080
2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide
CID 107279308
2-bromo-4-(3-methylmorpholin-4-yl)benzenecarboximidamide
CID 107279128
2-fluoro-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarbothioamide
CID 114593328
2-bromo-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 107279420
2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 107279188
2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide
CID 107279256
2-bromo-4-(3-methylsulfonylthiomorpholin-4-yl)benzenecarboximidamide
CID 107279347
2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
CID 114592056
2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol
CID 114593654

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide (CID 107279406) is 2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(C)CC(C)C2C)cc1Br.
What is the InChIKey of 2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is IXDTVLBYZFWTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-9-6-10(2)11(3)19(8-9)12-4-5-13(15(17)18)14(16)7-12/h4-5,7,9-11H,6,8H2,1-3H3,(H3,17,18).
What are the key properties of 2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide?
2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 324.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107279406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).