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

C11H15BrN2 — CID 114682788

IUPAC4-(4-bromo-3-methylpiperidin-1-yl)pyridine
SMILESCC1CN(c2ccncc2)CCC1Br
InChIInChI=1S/C11H15BrN2/c1-9-8-14(7-4-11(9)12)10-2-5-13-6-3-10/h2-3,5-6,9,11H,4,7-8H2,1H3
InChIKeyVCPBXVZUDXEODN-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.69
Rot. Bonds1

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

4-(4-bromo-3-methylpiperidin-1-yl)pyridine (PubChem CID 114682788) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 4-(4-bromo-3-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name4-(4-bromo-3-methylpiperidin-1-yl)pyridine
PubChem CID114682788
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name4-(4-bromo-3-methylpiperidin-1-yl)pyridine
SMILESCC1CN(c2ccncc2)CCC1Br
InChIInChI=1S/C11H15BrN2/c1-9-8-14(7-4-11(9)12)10-2-5-13-6-3-10/h2-3,5-6,9,11H,4,7-8H2,1H3
InChIKeyVCPBXVZUDXEODN-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylpiperidin-1-yl)pyridine?
The IUPAC name of 4-(4-bromo-3-methylpiperidin-1-yl)pyridine (CID 114682788) is 4-(4-bromo-3-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 4-(4-bromo-3-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 4-(4-bromo-3-methylpiperidin-1-yl)pyridine is CC1CN(c2ccncc2)CCC1Br.
What is the InChIKey of 4-(4-bromo-3-methylpiperidin-1-yl)pyridine?
The InChIKey is VCPBXVZUDXEODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-9-8-14(7-4-11(9)12)10-2-5-13-6-3-10/h2-3,5-6,9,11H,4,7-8H2,1H3.
What are the key properties of 4-(4-bromo-3-methylpiperidin-1-yl)pyridine?
4-(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 4-(4-bromo-3-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 114682788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).