3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine

C13H19BrN2 — CID 115618842

IUPAC3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCCC(C)N1Cc1cncc(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10-4-3-5-11(2)16(10)9-12-6-13(14)8-15-7-12/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyLHJKDLXCIHIUDZ-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.61
Rot. Bonds2

About 3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine

3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine (PubChem CID 115618842) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine
PubChem CID115618842
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCCC(C)N1Cc1cncc(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10-4-3-5-11(2)16(10)9-12-6-13(14)8-15-7-12/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyLHJKDLXCIHIUDZ-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130956415
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CID 115593313
1-[(5-bromo-3-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 104812641
[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 104798108
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115741520
1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazine-2,5-dione
CID 113456029
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-[(5-bromo-3-pyridinyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 104797630
1-[(5-bromo-3-pyridinyl)methyl]pyrrolidine-2-carbonitrile
CID 104797256
[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115741342
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082
3-bromo-5-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682308

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine (CID 115618842) is 3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine is CC1CCCC(C)N1Cc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine?
The InChIKey is LHJKDLXCIHIUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-4-3-5-11(2)16(10)9-12-6-13(14)8-15-7-12/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine?
3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine has a molecular weight of 283.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 115618842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).