2-(piperidin-4-ylmethyl)pyridine

C11H16N2 — CID 3800620

IUPAC2-(piperidin-4-ylmethyl)pyridine
SMILESc1ccc(CC2CCNCC2)nc1
InChIInChI=1S/C11H16N2/c1-2-6-13-11(3-1)9-10-4-7-12-8-5-10/h1-3,6,10,12H,4-5,7-9H2
InChIKeyAXARRSLNCQTCDG-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.62
Rot. Bonds2

About 2-(piperidin-4-ylmethyl)pyridine

2-(piperidin-4-ylmethyl)pyridine (PubChem CID 3800620) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)pyridine
PubChem CID3800620
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-(piperidin-4-ylmethyl)pyridine
SMILESc1ccc(CC2CCNCC2)nc1
InChIInChI=1S/C11H16N2/c1-2-6-13-11(3-1)9-10-4-7-12-8-5-10/h1-3,6,10,12H,4-5,7-9H2
InChIKeyAXARRSLNCQTCDG-UHFFFAOYSA-N
XLogP1.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)pyridine?
The IUPAC name of 2-(piperidin-4-ylmethyl)pyridine (CID 3800620) is 2-(piperidin-4-ylmethyl)pyridine.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)pyridine?
The canonical SMILES for 2-(piperidin-4-ylmethyl)pyridine is c1ccc(CC2CCNCC2)nc1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)pyridine?
The InChIKey is AXARRSLNCQTCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-6-13-11(3-1)9-10-4-7-12-8-5-10/h1-3,6,10,12H,4-5,7-9H2.
What are the key properties of 2-(piperidin-4-ylmethyl)pyridine?
2-(piperidin-4-ylmethyl)pyridine has a molecular weight of 176.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)pyridine is sourced from PubChem (CID 3800620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).