(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C13H17BrN2O2 — CID 62958660

IUPAC(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cn1)N1CCCCC1CCO
InChIInChI=1S/C13H17BrN2O2/c14-10-4-5-12(15-9-10)13(18)16-7-2-1-3-11(16)6-8-17/h4-5,9,11,17H,1-3,6-8H2
InChIKeyFNTUGLKZAIZOAG-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.22
Rot. Bonds3

About (5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 62958660) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID62958660
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cn1)N1CCCCC1CCO
InChIInChI=1S/C13H17BrN2O2/c14-10-4-5-12(15-9-10)13(18)16-7-2-1-3-11(16)6-8-17/h4-5,9,11,17H,1-3,6-8H2
InChIKeyFNTUGLKZAIZOAG-UHFFFAOYSA-N
XLogP2.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028277
(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249413
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
N-[[1-(5-bromopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 62953728
(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62243989
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-bromo-2-pyridinyl)methanone
CID 65320580
methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
CID 55152128
[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 113436394
(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633795
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 113323326

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 62958660) is (5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1ccc(Br)cn1)N1CCCCC1CCO.
What is the InChIKey of (5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is FNTUGLKZAIZOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-10-4-5-12(15-9-10)13(18)16-7-2-1-3-11(16)6-8-17/h4-5,9,11,17H,1-3,6-8H2.
What are the key properties of (5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 313.19 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62958660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).