3-bromo-4-(4-methoxypiperidin-1-yl)pyridine

C11H15BrN2O — CID 104778046

IUPAC3-bromo-4-(4-methoxypiperidin-1-yl)pyridine
SMILESCOC1CCN(c2ccncc2Br)CC1
InChIInChI=1S/C11H15BrN2O/c1-15-9-3-6-14(7-4-9)11-2-5-13-8-10(11)12/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyHTRSYXHHRSWILW-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.46
Rot. Bonds2

About 3-bromo-4-(4-methoxypiperidin-1-yl)pyridine

3-bromo-4-(4-methoxypiperidin-1-yl)pyridine (PubChem CID 104778046) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-4-(4-methoxypiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(4-methoxypiperidin-1-yl)pyridine
PubChem CID104778046
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-bromo-4-(4-methoxypiperidin-1-yl)pyridine
SMILESCOC1CCN(c2ccncc2Br)CC1
InChIInChI=1S/C11H15BrN2O/c1-15-9-3-6-14(7-4-9)11-2-5-13-8-10(11)12/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyHTRSYXHHRSWILW-UHFFFAOYSA-N
XLogP2.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
(3aR,8aS)-6-(3-bromo-4-pyridinyl)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine
CID 128843555
1-(3-bromo-4-pyridinyl)-N,N-dimethylazepan-4-amine
CID 163374943
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 104779258
5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine
CID 103517696
2-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 113452072
4-(4-benzylpiperidin-1-yl)-3-bromopyridine
CID 104778025
3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine
CID 114682648
3-bromo-4-(3-methylpiperidin-1-yl)pyridine
CID 104777988
3-bromo-2-(4-methoxypiperidin-1-yl)pyridine
CID 61375060
(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine
CID 104977557

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-methoxypiperidin-1-yl)pyridine?
The IUPAC name of 3-bromo-4-(4-methoxypiperidin-1-yl)pyridine (CID 104778046) is 3-bromo-4-(4-methoxypiperidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-4-(4-methoxypiperidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-4-(4-methoxypiperidin-1-yl)pyridine is COC1CCN(c2ccncc2Br)CC1.
What is the InChIKey of 3-bromo-4-(4-methoxypiperidin-1-yl)pyridine?
The InChIKey is HTRSYXHHRSWILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-15-9-3-6-14(7-4-9)11-2-5-13-8-10(11)12/h2,5,8-9H,3-4,6-7H2,1H3.
What are the key properties of 3-bromo-4-(4-methoxypiperidin-1-yl)pyridine?
3-bromo-4-(4-methoxypiperidin-1-yl)pyridine has a molecular weight of 271.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-methoxypiperidin-1-yl)pyridine is sourced from PubChem (CID 104778046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).