3-bromo-5-(3-propoxypiperidin-1-yl)pyridine

C13H19BrN2O — CID 112695219

IUPAC3-bromo-5-(3-propoxypiperidin-1-yl)pyridine
SMILESCCCOC1CCCN(c2cncc(Br)c2)C1
InChIInChI=1S/C13H19BrN2O/c1-2-6-17-13-4-3-5-16(10-13)12-7-11(14)8-15-9-12/h7-9,13H,2-6,10H2,1H3
InChIKeyWGSXHYZIKHAWGY-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.24
Rot. Bonds4

About 3-bromo-5-(3-propoxypiperidin-1-yl)pyridine

3-bromo-5-(3-propoxypiperidin-1-yl)pyridine (PubChem CID 112695219) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-bromo-5-(3-propoxypiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(3-propoxypiperidin-1-yl)pyridine
PubChem CID112695219
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-bromo-5-(3-propoxypiperidin-1-yl)pyridine
SMILESCCCOC1CCCN(c2cncc(Br)c2)C1
InChIInChI=1S/C13H19BrN2O/c1-2-6-17-13-4-3-5-16(10-13)12-7-11(14)8-15-9-12/h7-9,13H,2-6,10H2,1H3
InChIKeyWGSXHYZIKHAWGY-UHFFFAOYSA-N
XLogP3.24
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine
CID 102813717
3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine
CID 131007918
4-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 65343390
5-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 54985623
N-methyl-1-[6-(3-propoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66451853
6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450862
2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
CID 64624316
ethyl N-[(3R)-1-(5-bromo-3-pyridinyl)piperidin-3-yl]carbamate
CID 97029184
1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine
CID 114223190
1-[4-bromo-2-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 82967445
[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 86686011
3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
CID 54989826

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-propoxypiperidin-1-yl)pyridine?
The IUPAC name of 3-bromo-5-(3-propoxypiperidin-1-yl)pyridine (CID 112695219) is 3-bromo-5-(3-propoxypiperidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(3-propoxypiperidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-(3-propoxypiperidin-1-yl)pyridine is CCCOC1CCCN(c2cncc(Br)c2)C1.
What is the InChIKey of 3-bromo-5-(3-propoxypiperidin-1-yl)pyridine?
The InChIKey is WGSXHYZIKHAWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-2-6-17-13-4-3-5-16(10-13)12-7-11(14)8-15-9-12/h7-9,13H,2-6,10H2,1H3.
What are the key properties of 3-bromo-5-(3-propoxypiperidin-1-yl)pyridine?
3-bromo-5-(3-propoxypiperidin-1-yl)pyridine has a molecular weight of 299.21 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-propoxypiperidin-1-yl)pyridine is sourced from PubChem (CID 112695219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).