2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride

C16H19ClN2O — CID 177057884

IUPAC2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride
SMILES[Cl-].c1ccc(Oc2ccc(C3CC[NH2+]CC3)cc2)nc1
InChIInChI=1S/C16H18N2O.ClH/c1-2-10-18-16(3-1)19-15-6-4-13(5-7-15)14-8-11-17-12-9-14;/h1-7,10,14,17H,8-9,11-12H2;1H
InChIKeyICTPRYYSFXHNKD-UHFFFAOYSA-N
MW290.79 g/mol
LogP-0.68
Rot. Bonds3

About 2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride

2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride (PubChem CID 177057884) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride.

Molecular Properties

Compound Name2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride
PubChem CID177057884
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride
SMILES[Cl-].c1ccc(Oc2ccc(C3CC[NH2+]CC3)cc2)nc1
InChIInChI=1S/C16H18N2O.ClH/c1-2-10-18-16(3-1)19-15-6-4-13(5-7-15)14-8-11-17-12-9-14;/h1-7,10,14,17H,8-9,11-12H2;1H
InChIKeyICTPRYYSFXHNKD-UHFFFAOYSA-N
XLogP-0.68
TPSA38.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride?
The IUPAC name of 2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride (CID 177057884) is 2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride.
What is the SMILES notation for 2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride?
The canonical SMILES for 2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride is [Cl-].c1ccc(Oc2ccc(C3CC[NH2+]CC3)cc2)nc1.
What is the InChIKey of 2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride?
The InChIKey is ICTPRYYSFXHNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c1-2-10-18-16(3-1)19-15-6-4-13(5-7-15)14-8-11-17-12-9-14;/h1-7,10,14,17H,8-9,11-12H2;1H.
What are the key properties of 2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride?
2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride has a molecular weight of 290.79 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride is sourced from PubChem (CID 177057884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).