1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone

C12H15BrN2O2 — CID 144576037

IUPAC1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(Br)cnc1N1CCCC(O)C1
InChIInChI=1S/C12H15BrN2O2/c1-8(16)11-5-9(13)6-14-12(11)15-4-2-3-10(17)7-15/h5-6,10,17H,2-4,7H2,1H3
InChIKeyLNQCNTXDIJPBRY-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.01
Rot. Bonds2

About 1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone

1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone (PubChem CID 144576037) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone
PubChem CID144576037
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(Br)cnc1N1CCCC(O)C1
InChIInChI=1S/C12H15BrN2O2/c1-8(16)11-5-9(13)6-14-12(11)15-4-2-3-10(17)7-15/h5-6,10,17H,2-4,7H2,1H3
InChIKeyLNQCNTXDIJPBRY-UHFFFAOYSA-N
XLogP2.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 76848480
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
5-bromo-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid
CID 81200282
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360369
1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103194325
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
5-bromo-2-(3-methylpiperidin-1-yl)pyridin-3-amine
CID 61228660
5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55247393

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone (CID 144576037) is 1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone is CC(=O)c1cc(Br)cnc1N1CCCC(O)C1.
What is the InChIKey of 1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is LNQCNTXDIJPBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8(16)11-5-9(13)6-14-12(11)15-4-2-3-10(17)7-15/h5-6,10,17H,2-4,7H2,1H3.
What are the key properties of 1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone?
1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 299.17 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 144576037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).