(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C12H15BrN2O2 — CID 43422045

IUPAC(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cncc(Br)c1)N1CCCC(CO)C1
InChIInChI=1S/C12H15BrN2O2/c13-11-4-10(5-14-6-11)12(17)15-3-1-2-9(7-15)8-16/h4-6,9,16H,1-3,7-8H2
InChIKeyQRKPWTOZRUQHSX-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.69
Rot. Bonds2

About (5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43422045) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43422045
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cncc(Br)c1)N1CCCC(CO)C1
InChIInChI=1S/C12H15BrN2O2/c13-11-4-10(5-14-6-11)12(17)15-3-1-2-9(7-15)8-16/h4-6,9,16H,1-3,7-8H2
InChIKeyQRKPWTOZRUQHSX-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone;dihydrochloride
CID 120727734
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633275
(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64598733
(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63079740
(5-bromo-3-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119541646
(5-bromo-3-pyridinyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 55956730
(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 134160568
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43422045) is (5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cncc(Br)c1)N1CCCC(CO)C1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is QRKPWTOZRUQHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-11-4-10(5-14-6-11)12(17)15-3-1-2-9(7-15)8-16/h4-6,9,16H,1-3,7-8H2.
What are the key properties of (5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 299.17 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43422045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).