2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine

C13H20BrN3 — CID 104800887

IUPAC2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(Cc2cncc(Br)c2)C1
InChIInChI=1S/C13H20BrN3/c14-13-6-12(7-16-8-13)10-17-5-1-2-11(9-17)3-4-15/h6-8,11H,1-5,9-10,15H2
InChIKeyVZTBLYUQWLYRKH-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.40
Rot. Bonds4

About 2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine

2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine (PubChem CID 104800887) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine
PubChem CID104800887
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(Cc2cncc(Br)c2)C1
InChIInChI=1S/C13H20BrN3/c14-13-6-12(7-16-8-13)10-17-5-1-2-11(9-17)3-4-15/h6-8,11H,1-5,9-10,15H2
InChIKeyVZTBLYUQWLYRKH-UHFFFAOYSA-N
XLogP2.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone;dihydrochloride
CID 120727734
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine
CID 171993882
3-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878847
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
1-[(5-bromo-3-pyridinyl)methyl]-3-cyclopropyl-1,4-diazepane
CID 113456021
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115741520
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 66119014
[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-3-yl]methanamine
CID 79706155
3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878825

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine (CID 104800887) is 2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine is NCCC1CCCN(Cc2cncc(Br)c2)C1.
What is the InChIKey of 2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is VZTBLYUQWLYRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c14-13-6-12(7-16-8-13)10-17-5-1-2-11(9-17)3-4-15/h6-8,11H,1-5,9-10,15H2.
What are the key properties of 2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine?
2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 298.23 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 104800887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).