3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine

C15H17ClN2OS — CID 18459051

IUPAC3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine
SMILESClc1sccc1-c1cncc(OCC2CCCCN2)c1
InChIInChI=1S/C15H17ClN2OS/c16-15-14(4-6-20-15)11-7-13(9-17-8-11)19-10-12-3-1-2-5-18-12/h4,6-9,12,18H,1-3,5,10H2
InChIKeyKOBPCNIIPNLVQC-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.98
Rot. Bonds4

About 3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine

3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine (PubChem CID 18459051) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine
PubChem CID18459051
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine
SMILESClc1sccc1-c1cncc(OCC2CCCCN2)c1
InChIInChI=1S/C15H17ClN2OS/c16-15-14(4-6-20-15)11-7-13(9-17-8-11)19-10-12-3-1-2-5-18-12/h4,6-9,12,18H,1-3,5,10H2
InChIKeyKOBPCNIIPNLVQC-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine?
The IUPAC name of 3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine (CID 18459051) is 3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine?
The canonical SMILES for 3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine is Clc1sccc1-c1cncc(OCC2CCCCN2)c1.
What is the InChIKey of 3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine?
The InChIKey is KOBPCNIIPNLVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c16-15-14(4-6-20-15)11-7-13(9-17-8-11)19-10-12-3-1-2-5-18-12/h4,6-9,12,18H,1-3,5,10H2.
What are the key properties of 3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine?
3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine has a molecular weight of 308.83 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorothiophen-3-yl)-5-(piperidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 18459051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).