[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone

C12H15BrN2O — CID 80660201

IUPAC[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(CBr)C1
InChIInChI=1S/C12H15BrN2O/c13-8-10-4-3-7-15(9-10)12(16)11-5-1-2-6-14-11/h1-2,5-6,10H,3-4,7-9H2
InChIKeyCGVJUIJEIXWIHI-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.33
Rot. Bonds2

About [3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 80660201) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is [3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID80660201
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(CBr)C1
InChIInChI=1S/C12H15BrN2O/c13-8-10-4-3-7-15(9-10)12(16)11-5-1-2-6-14-11/h1-2,5-6,10H,3-4,7-9H2
InChIKeyCGVJUIJEIXWIHI-UHFFFAOYSA-N
XLogP2.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110661869
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
[3-(bromomethyl)piperidin-1-yl]-(3-bromo-2-pyridinyl)methanone
CID 107526191
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
pyridin-2-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56861683
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
pyridin-2-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56863219
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
[3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672520
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 80660201) is [3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCC(CBr)C1.
What is the InChIKey of [3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is CGVJUIJEIXWIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-8-10-4-3-7-15(9-10)12(16)11-5-1-2-6-14-11/h1-2,5-6,10H,3-4,7-9H2.
What are the key properties of [3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 283.17 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 80660201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).