(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone

C15H21BrN2O — CID 107872673

IUPAC(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)N1CCC(C)CC1C
InChIInChI=1S/C15H21BrN2O/c1-9-4-5-18(10(2)6-9)15(19)13-7-12(16)8-14(17)11(13)3/h7-10H,4-6,17H2,1-3H3
InChIKeyWRTALCYZEMUGAN-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.60
Rot. Bonds1

About (3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone

(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone (PubChem CID 107872673) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is (3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
PubChem CID107872673
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)N1CCC(C)CC1C
InChIInChI=1S/C15H21BrN2O/c1-9-4-5-18(10(2)6-9)15(19)13-7-12(16)8-14(17)11(13)3/h7-10H,4-6,17H2,1-3H3
InChIKeyWRTALCYZEMUGAN-UHFFFAOYSA-N
XLogP3.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 114011408
(3-amino-5-bromo-2-methylphenyl)-(3-methylthiomorpholin-4-yl)methanone
CID 114011365
(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62332096
(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 81240937
(3-amino-5-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 107871959
(3-amino-5-bromo-2-methylphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107872705
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 55061421
(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107185001
(3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107873267
(3-amino-5-bromo-2-methylphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 107872402
(3-amino-5-bromo-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 107872456
(3-methylcyclohexyl) 3-amino-5-bromo-2-methylbenzoate
CID 107873883

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone (CID 107872673) is (3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone is Cc1c(N)cc(Br)cc1C(=O)N1CCC(C)CC1C.
What is the InChIKey of (3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is WRTALCYZEMUGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-9-4-5-18(10(2)6-9)15(19)13-7-12(16)8-14(17)11(13)3/h7-10H,4-6,17H2,1-3H3.
What are the key properties of (3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone?
(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 325.25 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 107872673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).