3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine

C15H17ClN2OS — CID 54004758

IUPAC3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine
SMILESClc1sccc1-c1cncc(OC[C@H]2CCCCN2)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/t12-/m1/s1
InChIKeyKOBPCNIIPNLVQC-GFCCVEGCSA-N
MW308.83 g/mol
LogP3.98
Rot. Bonds4

About 3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine

3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine (PubChem CID 54004758) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine
PubChem CID54004758
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine
SMILESClc1sccc1-c1cncc(OC[C@H]2CCCCN2)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/t12-/m1/s1
InChIKeyKOBPCNIIPNLVQC-GFCCVEGCSA-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-[[(2R)-piperidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine (CID 54004758) is 3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine is Clc1sccc1-c1cncc(OC[C@H]2CCCCN2)c1.
What is the InChIKey of 3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine?
The InChIKey is KOBPCNIIPNLVQC-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of 3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]pyridine?
3-(2-chlorothiophen-3-yl)-5-[[(2R)-piperidin-2-yl]methoxy]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-[[(2R)-piperidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54004758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).