(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone

C14H18BrNO — CID 65308017

IUPAC(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCCCC1C
InChIInChI=1S/C14H18BrNO/c1-10-6-7-12(15)9-13(10)14(17)16-8-4-3-5-11(16)2/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyYIMGECLPJSJWTQ-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.77
Rot. Bonds1

About (5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone

(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 65308017) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID65308017
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCCCC1C
InChIInChI=1S/C14H18BrNO/c1-10-6-7-12(15)9-13(10)14(17)16-8-4-3-5-11(16)2/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyYIMGECLPJSJWTQ-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
(5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 65309174
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-methylphenyl)methanone;hydrochloride
CID 119435193
1-[1-(5-bromo-2-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79548881
(4-bromo-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 78987496
(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 65309657
5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 62074188
[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(2-methylazepan-1-yl)methanone
CID 65310871
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 167312115
(5-bromo-2-methylphenyl)-(4-chloropiperidin-1-yl)methanone
CID 65309510
(5-bromo-2-methylphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738277

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone (CID 65308017) is (5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone is Cc1ccc(Br)cc1C(=O)N1CCCCC1C.
What is the InChIKey of (5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is YIMGECLPJSJWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-6-7-12(15)9-13(10)14(17)16-8-4-3-5-11(16)2/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 296.21 g/mol, XLogP of 3.77, 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-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 65308017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).