1-(2-piperidin-4-ylethyl)-2H-pyridine

C12H20N2 — CID 141096626

IUPAC1-(2-piperidin-4-ylethyl)-2H-pyridine
SMILESC1=CCN(CCC2CCNCC2)C=C1
InChIInChI=1S/C12H20N2/c1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12/h1-3,9,12-13H,4-8,10-11H2
InChIKeyLPPOPFOWKDHEBY-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.76
Rot. Bonds3

About 1-(2-piperidin-4-ylethyl)-2H-pyridine

1-(2-piperidin-4-ylethyl)-2H-pyridine (PubChem CID 141096626) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylethyl)-2H-pyridine.

Molecular Properties

Compound Name1-(2-piperidin-4-ylethyl)-2H-pyridine
PubChem CID141096626
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(2-piperidin-4-ylethyl)-2H-pyridine
SMILESC1=CCN(CCC2CCNCC2)C=C1
InChIInChI=1S/C12H20N2/c1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12/h1-3,9,12-13H,4-8,10-11H2
InChIKeyLPPOPFOWKDHEBY-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylethyl)-2H-pyridine?
The IUPAC name of 1-(2-piperidin-4-ylethyl)-2H-pyridine (CID 141096626) is 1-(2-piperidin-4-ylethyl)-2H-pyridine.
What is the SMILES notation for 1-(2-piperidin-4-ylethyl)-2H-pyridine?
The canonical SMILES for 1-(2-piperidin-4-ylethyl)-2H-pyridine is C1=CCN(CCC2CCNCC2)C=C1.
What is the InChIKey of 1-(2-piperidin-4-ylethyl)-2H-pyridine?
The InChIKey is LPPOPFOWKDHEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12/h1-3,9,12-13H,4-8,10-11H2.
What are the key properties of 1-(2-piperidin-4-ylethyl)-2H-pyridine?
1-(2-piperidin-4-ylethyl)-2H-pyridine has a molecular weight of 192.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylethyl)-2H-pyridine is sourced from PubChem (CID 141096626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).