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

C13H17BrN2O — CID 103874986

IUPAC(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cccc(Br)n2)C1
InChIInChI=1S/C13H17BrN2O/c1-9-6-10(2)8-16(7-9)13(17)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyBSGSMZWGYWCCJH-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.96
Rot. Bonds1

About (6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone

(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 103874986) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID103874986
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cccc(Br)n2)C1
InChIInChI=1S/C13H17BrN2O/c1-9-6-10(2)8-16(7-9)13(17)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyBSGSMZWGYWCCJH-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-bromo-2-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103917023
(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 103916821
(3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573681
(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 84574061
(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 103916743
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-bromo-2-pyridinyl)methanone
CID 113351404
(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 114037544
1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile
CID 113351440
ethyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 103874999
1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103875343
tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 58229734

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 103874986) is (6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cccc(Br)n2)C1.
What is the InChIKey of (6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is BSGSMZWGYWCCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-6-10(2)8-16(7-9)13(17)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of (6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone?
(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 297.20 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 103874986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).