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

C15H20BrNO — CID 65309438

IUPAC(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCCC(C)C1C
InChIInChI=1S/C15H20BrNO/c1-10-5-4-8-17(12(10)3)15(18)14-9-13(16)7-6-11(14)2/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyXBJGBEKCUWGRRZ-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.02
Rot. Bonds1

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

(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 65309438) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID65309438
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCCC(C)C1C
InChIInChI=1S/C15H20BrNO/c1-10-5-4-8-17(12(10)3)15(18)14-9-13(16)7-6-11(14)2/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyXBJGBEKCUWGRRZ-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 65309438) is (5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone is Cc1ccc(Br)cc1C(=O)N1CCCC(C)C1C.
What is the InChIKey of (5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is XBJGBEKCUWGRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10-5-4-8-17(12(10)3)15(18)14-9-13(16)7-6-11(14)2/h6-7,9-10,12H,4-5,8H2,1-3H3.
What are the key properties of (5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 310.24 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 65309438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).