2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine

C22H24N2OS — CID 24732801

IUPAC2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine
SMILESc1ccc(CCN2CCC(Oc3ccc(-c4ccsc4)cc3)CC2)nc1
InChIInChI=1S/C22H24N2OS/c1-2-12-23-20(3-1)8-13-24-14-9-22(10-15-24)25-21-6-4-18(5-7-21)19-11-16-26-17-19/h1-7,11-12,16-17,22H,8-10,13-15H2
InChIKeyNZDKYXIYVKNDMH-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.90
Rot. Bonds6

About 2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine

2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine (PubChem CID 24732801) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine
PubChem CID24732801
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine
SMILESc1ccc(CCN2CCC(Oc3ccc(-c4ccsc4)cc3)CC2)nc1
InChIInChI=1S/C22H24N2OS/c1-2-12-23-20(3-1)8-13-24-14-9-22(10-15-24)25-21-6-4-18(5-7-21)19-11-16-26-17-19/h1-7,11-12,16-17,22H,8-10,13-15H2
InChIKeyNZDKYXIYVKNDMH-UHFFFAOYSA-N
XLogP4.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine (CID 24732801) is 2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine is c1ccc(CCN2CCC(Oc3ccc(-c4ccsc4)cc3)CC2)nc1.
What is the InChIKey of 2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine?
The InChIKey is NZDKYXIYVKNDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-2-12-23-20(3-1)8-13-24-14-9-22(10-15-24)25-21-6-4-18(5-7-21)19-11-16-26-17-19/h1-7,11-12,16-17,22H,8-10,13-15H2.
What are the key properties of 2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine?
2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine has a molecular weight of 364.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 24732801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).