2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine

C12H17BrN2 — CID 102960286

IUPAC2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCN(Cc2ccccn2)CC1Br
InChIInChI=1S/C12H17BrN2/c1-10-5-7-15(9-12(10)13)8-11-4-2-3-6-14-11/h2-4,6,10,12H,5,7-9H2,1H3
InChIKeyLGYMWRNTPCXDHT-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.69
Rot. Bonds2

About 2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine

2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine (PubChem CID 102960286) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
PubChem CID102960286
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCN(Cc2ccccn2)CC1Br
InChIInChI=1S/C12H17BrN2/c1-10-5-7-15(9-12(10)13)8-11-4-2-3-6-14-11/h2-4,6,10,12H,5,7-9H2,1H3
InChIKeyLGYMWRNTPCXDHT-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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

2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
CID 59694740
CID 59694740
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
1-(pyridin-2-ylmethyl)pyrrolidine-3-carbaldehyde
CID 102548691
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
3-bromo-1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine
CID 102960502
2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine
CID 126771656
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine (CID 102960286) is 2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine is CC1CCN(Cc2ccccn2)CC1Br.
What is the InChIKey of 2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine?
The InChIKey is LGYMWRNTPCXDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-10-5-7-15(9-12(10)13)8-11-4-2-3-6-14-11/h2-4,6,10,12H,5,7-9H2,1H3.
What are the key properties of 2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine?
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine has a molecular weight of 269.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 102960286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).