4-bromo-2-(piperidin-1-ylmethyl)pyridine

C11H15BrN2 — CID 91754381

IUPAC4-bromo-2-(piperidin-1-ylmethyl)pyridine
SMILESBrc1ccnc(CN2CCCCC2)c1
InChIInChI=1S/C11H15BrN2/c12-10-4-5-13-11(8-10)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
InChIKeyDFJPINCQRMDOCD-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.83
Rot. Bonds2

About 4-bromo-2-(piperidin-1-ylmethyl)pyridine

4-bromo-2-(piperidin-1-ylmethyl)pyridine (PubChem CID 91754381) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 4-bromo-2-(piperidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-(piperidin-1-ylmethyl)pyridine
PubChem CID91754381
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name4-bromo-2-(piperidin-1-ylmethyl)pyridine
SMILESBrc1ccnc(CN2CCCCC2)c1
InChIInChI=1S/C11H15BrN2/c12-10-4-5-13-11(8-10)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
InChIKeyDFJPINCQRMDOCD-UHFFFAOYSA-N
XLogP2.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(piperidin-1-ylmethyl)pyridine?
The IUPAC name of 4-bromo-2-(piperidin-1-ylmethyl)pyridine (CID 91754381) is 4-bromo-2-(piperidin-1-ylmethyl)pyridine.
What is the SMILES notation for 4-bromo-2-(piperidin-1-ylmethyl)pyridine?
The canonical SMILES for 4-bromo-2-(piperidin-1-ylmethyl)pyridine is Brc1ccnc(CN2CCCCC2)c1.
What is the InChIKey of 4-bromo-2-(piperidin-1-ylmethyl)pyridine?
The InChIKey is DFJPINCQRMDOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-4-5-13-11(8-10)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 4-bromo-2-(piperidin-1-ylmethyl)pyridine?
4-bromo-2-(piperidin-1-ylmethyl)pyridine has a molecular weight of 255.16 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 4-bromo-2-(piperidin-1-ylmethyl)pyridine is sourced from PubChem (CID 91754381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).