3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine

C12H17BrN2 — CID 130756994

IUPAC3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1C(Br)CCCN1Cc1cccnc1
InChIInChI=1S/C12H17BrN2/c1-10-12(13)5-3-7-15(10)9-11-4-2-6-14-8-11/h2,4,6,8,10,12H,3,5,7,9H2,1H3
InChIKeyZQPWCLREHYCOFG-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.83
Rot. Bonds2

About 3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine

3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine (PubChem CID 130756994) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
PubChem CID130756994
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1C(Br)CCCN1Cc1cccnc1
InChIInChI=1S/C12H17BrN2/c1-10-12(13)5-3-7-15(10)9-11-4-2-6-14-8-11/h2,4,6,8,10,12H,3,5,7,9H2,1H3
InChIKeyZQPWCLREHYCOFG-UHFFFAOYSA-N
XLogP2.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.83
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

[(2R,3R)-2-methyl-1-(pyridin-3-ylmethyl)azepan-3-yl]methanamine
CID 96597473
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102784644
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580373
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
3-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 124992533
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine (CID 130756994) is 3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine is CC1C(Br)CCCN1Cc1cccnc1.
What is the InChIKey of 3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine?
The InChIKey is ZQPWCLREHYCOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-10-12(13)5-3-7-15(10)9-11-4-2-6-14-8-11/h2,4,6,8,10,12H,3,5,7,9H2,1H3.
What are the key properties of 3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine?
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine has a molecular weight of 269.19 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 130756994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).