1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone

C13H17BrN2O — CID 114869038

IUPAC1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C13H17BrN2O/c1-9-7-13(15-8-12(9)14)16-5-3-11(4-6-16)10(2)17/h7-8,11H,3-6H2,1-2H3
InChIKeyRBXWBGQPEWDXFP-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.96
Rot. Bonds2

About 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone

1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone (PubChem CID 114869038) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone
PubChem CID114869038
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C13H17BrN2O/c1-9-7-13(15-8-12(9)14)16-5-3-11(4-6-16)10(2)17/h7-8,11H,3-6H2,1-2H3
InChIKeyRBXWBGQPEWDXFP-UHFFFAOYSA-N
XLogP2.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
5-bromo-2-[4-(2-methoxyethoxy)piperidin-1-yl]-4-methylpyridine
CID 133448525
4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide
CID 115774067
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine
CID 133403306
5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
CID 114869912
1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
CID 114869588
N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 114869842

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone (CID 114869038) is 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(c2cc(C)c(Br)cn2)CC1.
What is the InChIKey of 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone?
The InChIKey is RBXWBGQPEWDXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-7-13(15-8-12(9)14)16-5-3-11(4-6-16)10(2)17/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone?
1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone has a molecular weight of 297.20 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 114869038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).