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

C15H20BrNO — CID 103853932

IUPAC(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCC(C)(C)CC2)c1Br
InChIInChI=1S/C15H20BrNO/c1-11-5-4-6-12(13(11)16)14(18)17-9-7-15(2,3)8-10-17/h4-6H,7-10H2,1-3H3
InChIKeyCACUTSZSJVMJKY-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.02
Rot. Bonds1

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

(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 103853932) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID103853932
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCC(C)(C)CC2)c1Br
InChIInChI=1S/C15H20BrNO/c1-11-5-4-6-12(13(11)16)14(18)17-9-7-15(2,3)8-10-17/h4-6H,7-10H2,1-3H3
InChIKeyCACUTSZSJVMJKY-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 ≤ 500310.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

aziridin-1-yl-(2-bromo-3-methylphenyl)methanone
CID 131089589
(2-bromo-3-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107982520
1-(2-bromo-3-methylbenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107982295
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
(4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103639314
(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812606
(4,4-dimethylazepan-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711269
(2-bromo-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 113339336
1-(2-bromo-3-methylbenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107981448
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
(2-bromo-3-methylphenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 107984073
(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 103853932) is (2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone is Cc1cccc(C(=O)N2CCC(C)(C)CC2)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is CACUTSZSJVMJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-5-4-6-12(13(11)16)14(18)17-9-7-15(2,3)8-10-17/h4-6H,7-10H2,1-3H3.
What are the key properties of (2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 310.23 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 (2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 103853932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).