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

C13H17BrN2O — CID 62122883

IUPAC(5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cncc(Br)c2)C1C
InChIInChI=1S/C13H17BrN2O/c1-9-4-3-5-16(10(9)2)13(17)11-6-12(14)8-15-7-11/h6-10H,3-5H2,1-2H3
InChIKeyONIIKSFLQHSTMZ-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.10
Rot. Bonds1

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

(5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 62122883) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID62122883
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cncc(Br)c2)C1C
InChIInChI=1S/C13H17BrN2O/c1-9-4-3-5-16(10(9)2)13(17)11-6-12(14)8-15-7-11/h6-10H,3-5H2,1-2H3
InChIKeyONIIKSFLQHSTMZ-UHFFFAOYSA-N
XLogP3.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 66465121
(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 61062384
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592245
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone
CID 61073633
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(5-bromo-3-pyridinyl)methanone
CID 47251098
5-[(2S,3R)-2-(hydroxymethyl)-3-methylpiperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 166262457
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123341
(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63079740
(5-bromo-3-pyridinyl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31796701

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 62122883) is (5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cncc(Br)c2)C1C.
What is the InChIKey of (5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is ONIIKSFLQHSTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-4-3-5-16(10(9)2)13(17)11-6-12(14)8-15-7-11/h6-10H,3-5H2,1-2H3.
What are the key properties of (5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
(5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 297.20 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62122883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).