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5-Bromo-3-piperidin-1-ylmethyl-pyridin-2-ylamine

HCID 59456983
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ncc(Br)cc1CN1CCCCC1
InChIKey
LVDPGQJIRBYMRM-UHFFFAOYSA-N
Molecular formula
C11H16BrN3
Average molar mass
270.17 g/mol
Monoisotopic mass
269.05276

Names & identifiers

Preferred name
5-Bromo-3-piperidin-1-ylmethyl-pyridin-2-ylamine
IUPAC
5-bromo-3-(piperidin-1-ylmethyl)pyridin-2-amine

Names & synonyms

SCHEMBL1252026LVDPGQJIRBYMRM-UHFFFAOYSA-N5-Bromo-3-piperidin-1-ylmethyl-pyridin-2-ylamine

Database identifiers

PubChem CID
59456983

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
42.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
194

Related reactions

4 records
New reaction record
HRID 308529 reaction equation
HRID 308529As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1219610 reaction equation
HRID 1219610As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1362097 reaction equation
HRID 1362097As productuspto-grants-2011_02
HRID 1362098 reaction equation
HRID 1362098As reactantuspto-grants-2011_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes