2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine

C12H17BrN2 — CID 130920970

IUPAC2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine
SMILESCc1cccc(N2CCCC(Br)C2C)n1
InChIInChI=1S/C12H17BrN2/c1-9-5-3-7-12(14-9)15-8-4-6-11(13)10(15)2/h3,5,7,10-11H,4,6,8H2,1-2H3
InChIKeyZCUGZQUJXCEAML-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.14
Rot. Bonds1

About 2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine

2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine (PubChem CID 130920970) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine.

Molecular Properties

Compound Name2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine
PubChem CID130920970
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine
SMILESCc1cccc(N2CCCC(Br)C2C)n1
InChIInChI=1S/C12H17BrN2/c1-9-5-3-7-12(14-9)15-8-4-6-11(13)10(15)2/h3,5,7,10-11H,4,6,8H2,1-2H3
InChIKeyZCUGZQUJXCEAML-UHFFFAOYSA-N
XLogP3.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
2-(2,3-dimethylpiperidin-1-yl)-6-fluoropyridine
CID 62123107
2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 86797293
[3-methyl-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 102784171
[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177634
2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine
CID 133482186
[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 86797169
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 133492915
2-(3-bromo-2-methylpiperidin-1-yl)-1,3,4-thiadiazole
CID 127003911
N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 110116781
(3aS,6aS)-1-(6-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 61142838

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine?
The IUPAC name of 2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine (CID 130920970) is 2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine.
What is the SMILES notation for 2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine?
The canonical SMILES for 2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine is Cc1cccc(N2CCCC(Br)C2C)n1.
What is the InChIKey of 2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine?
The InChIKey is ZCUGZQUJXCEAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-9-5-3-7-12(14-9)15-8-4-6-11(13)10(15)2/h3,5,7,10-11H,4,6,8H2,1-2H3.
What are the key properties of 2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine?
2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine has a molecular weight of 269.19 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine is sourced from PubChem (CID 130920970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).