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

C15H20BrNO — CID 115871730

IUPAC(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCC(C)C(C)C1
InChIInChI=1S/C15H20BrNO/c1-10-6-7-17(9-12(10)3)15(18)14-8-13(16)5-4-11(14)2/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyVLKOSTJCEHFSHV-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.88
Rot. Bonds1

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

(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone (PubChem CID 115871730) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
PubChem CID115871730
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCC(C)C(C)C1
InChIInChI=1S/C15H20BrNO/c1-10-6-7-17(9-12(10)3)15(18)14-8-13(16)5-4-11(14)2/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyVLKOSTJCEHFSHV-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 65309140
(5-bromo-2-methylphenyl)-[3-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80668298
(5-bromo-2-methylphenyl)-(4-chloropiperidin-1-yl)methanone
CID 65309510
(5-bromo-2-methylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119635913
1-(5-bromo-2-methylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 65309546
(5-bromo-2-methylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 65309799
(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678705
(5-bromo-2-methylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 65309746
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(5-bromo-2-methylphenyl)methanone
CID 102937933
(5-bromo-2-methylphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738277
(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 103878368
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone (CID 115871730) is (5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone is Cc1ccc(Br)cc1C(=O)N1CCC(C)C(C)C1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is VLKOSTJCEHFSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10-6-7-17(9-12(10)3)15(18)14-8-13(16)5-4-11(14)2/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of (5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 310.24 g/mol, XLogP of 3.88, 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)-(3,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 115871730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).