(6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide

C12H16Br2N2O — CID 86679073

IUPAC(6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide
SMILESBr.CN1CCC(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C12H15BrN2O.BrH/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10;/h2-4,9H,5-8H2,1H3;1H
InChIKeyUINYIZJEJDKZEY-UHFFFAOYSA-N
MW364.08 g/mol
LogP2.95
Rot. Bonds2

About (6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide

(6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide (PubChem CID 86679073) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide
PubChem CID86679073
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name(6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide
SMILESBr.CN1CCC(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C12H15BrN2O.BrH/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10;/h2-4,9H,5-8H2,1H3;1H
InChIKeyUINYIZJEJDKZEY-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide?
The IUPAC name of (6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide (CID 86679073) is (6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide.
What is the SMILES notation for (6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide?
The canonical SMILES for (6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide is Br.CN1CCC(C(=O)c2cccc(Br)n2)CC1.
What is the InChIKey of (6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide?
The InChIKey is UINYIZJEJDKZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O.BrH/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10;/h2-4,9H,5-8H2,1H3;1H.
What are the key properties of (6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide?
(6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide has a molecular weight of 364.08 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrobromide is sourced from PubChem (CID 86679073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).