5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine

C15H22BrN3 — CID 112699044

IUPAC5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
SMILESCc1cc(Br)cnc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H22BrN3/c1-12-9-13(16)10-17-15(12)19-8-5-14(11-19)18-6-3-2-4-7-18/h9-10,14H,2-8,11H2,1H3
InChIKeyJDSVDXYWTPALCO-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.22
Rot. Bonds2

About 5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine

5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine (PubChem CID 112699044) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
PubChem CID112699044
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
SMILESCc1cc(Br)cnc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H22BrN3/c1-12-9-13(16)10-17-15(12)19-8-5-14(11-19)18-6-3-2-4-7-18/h9-10,14H,2-8,11H2,1H3
InChIKeyJDSVDXYWTPALCO-UHFFFAOYSA-N
XLogP3.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
5-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine
CID 66280868
5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine
CID 61227700
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine
CID 63151098
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130
1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine
CID 79718223
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid
CID 80632423
5-bromo-2-[4-(chloromethyl)piperidin-1-yl]-3-methylpyridine
CID 79718248

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine (CID 112699044) is 5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine is Cc1cc(Br)cnc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of 5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine?
The InChIKey is JDSVDXYWTPALCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-12-9-13(16)10-17-15(12)19-8-5-14(11-19)18-6-3-2-4-7-18/h9-10,14H,2-8,11H2,1H3.
What are the key properties of 5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine?
5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine has a molecular weight of 324.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 112699044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).