1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine

C15H24BrN3 — CID 114596924

IUPAC1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1N1CC(C)CC(C)C1C
InChIInChI=1S/C15H24BrN3/c1-10-5-11(2)12(3)19(9-10)15-13(7-17-4)6-14(16)8-18-15/h6,8,10-12,17H,5,7,9H2,1-4H3
InChIKeyKUDGUYZLRUHLLR-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.43
Rot. Bonds3

About 1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine

1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 114596924) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID114596924
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1N1CC(C)CC(C)C1C
InChIInChI=1S/C15H24BrN3/c1-10-5-11(2)12(3)19(9-10)15-13(7-17-4)6-14(16)8-18-15/h6,8,10-12,17H,5,7,9H2,1-4H3
InChIKeyKUDGUYZLRUHLLR-UHFFFAOYSA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102967673
N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 114596915
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-bromo-3-pyridinyl]-N-methylmethanamine
CID 62293722
1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63169019
1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62281889
1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
CID 64730620
N-[[2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 114596922
N-methyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
CID 114596926
1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
CID 114597453
N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62284209
5-bromo-3-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine
CID 55061469

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (CID 114596924) is 1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1N1CC(C)CC(C)C1C.
What is the InChIKey of 1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is KUDGUYZLRUHLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-10-5-11(2)12(3)19(9-10)15-13(7-17-4)6-14(16)8-18-15/h6,8,10-12,17H,5,7,9H2,1-4H3.
What are the key properties of 1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 326.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114596924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).