2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine

C13H20BrN3 — CID 105367346

IUPAC2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
SMILESCc1cnc(N2CCC(CCN)CC2)c(Br)c1
InChIInChI=1S/C13H20BrN3/c1-10-8-12(14)13(16-9-10)17-6-3-11(2-5-15)4-7-17/h8-9,11H,2-7,15H2,1H3
InChIKeyBSJVTNKCWPINBI-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.72
Rot. Bonds3

About 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine

2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine (PubChem CID 105367346) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
PubChem CID105367346
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
SMILESCc1cnc(N2CCC(CCN)CC2)c(Br)c1
InChIInChI=1S/C13H20BrN3/c1-10-8-12(14)13(16-9-10)17-6-3-11(2-5-15)4-7-17/h8-9,11H,2-7,15H2,1H3
InChIKeyBSJVTNKCWPINBI-UHFFFAOYSA-N
XLogP2.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
CID 105367961
2-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 114836313
3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 105368810
2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine
CID 82167516
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783
2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 112676170
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 105367921
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629
N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 105367314

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine (CID 105367346) is 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine is Cc1cnc(N2CCC(CCN)CC2)c(Br)c1.
What is the InChIKey of 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine?
The InChIKey is BSJVTNKCWPINBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-10-8-12(14)13(16-9-10)17-6-3-11(2-5-15)4-7-17/h8-9,11H,2-7,15H2,1H3.
What are the key properties of 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine?
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine has a molecular weight of 298.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 105367346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).