2-(4-bromo-3-methylpiperidin-1-yl)pyridine

C11H15BrN2 — CID 114682742

IUPAC2-(4-bromo-3-methylpiperidin-1-yl)pyridine
SMILESCC1CN(c2ccccn2)CCC1Br
InChIInChI=1S/C11H15BrN2/c1-9-8-14(7-5-10(9)12)11-4-2-3-6-13-11/h2-4,6,9-10H,5,7-8H2,1H3
InChIKeyKGMKORLRDDDDSC-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.69
Rot. Bonds1

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

2-(4-bromo-3-methylpiperidin-1-yl)pyridine (PubChem CID 114682742) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-(4-bromo-3-methylpiperidin-1-yl)pyridine
PubChem CID114682742
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-(4-bromo-3-methylpiperidin-1-yl)pyridine
SMILESCC1CN(c2ccccn2)CCC1Br
InChIInChI=1S/C11H15BrN2/c1-9-8-14(7-5-10(9)12)11-4-2-3-6-13-11/h2-4,6,9-10H,5,7-8H2,1H3
InChIKeyKGMKORLRDDDDSC-UHFFFAOYSA-N
XLogP2.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
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

(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
4-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682788
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643959
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine
CID 102961086
tert-butyl-dimethyl-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxysilane
CID 141180925
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
CID 134430978
O-(1-pyridin-2-ylpiperidin-4-yl)hydroxylamine
CID 129267399

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpiperidin-1-yl)pyridine?
The IUPAC name of 2-(4-bromo-3-methylpiperidin-1-yl)pyridine (CID 114682742) is 2-(4-bromo-3-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-(4-bromo-3-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-(4-bromo-3-methylpiperidin-1-yl)pyridine is CC1CN(c2ccccn2)CCC1Br.
What is the InChIKey of 2-(4-bromo-3-methylpiperidin-1-yl)pyridine?
The InChIKey is KGMKORLRDDDDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-9-8-14(7-5-10(9)12)11-4-2-3-6-13-11/h2-4,6,9-10H,5,7-8H2,1H3.
What are the key properties of 2-(4-bromo-3-methylpiperidin-1-yl)pyridine?
2-(4-bromo-3-methylpiperidin-1-yl)pyridine has a molecular weight of 255.16 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 114682742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).