3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine

C15H16N2S — CID 91754967

IUPAC3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine
SMILESC(=C1\CCCNC1c1cccnc1)\c1cccs1
InChIInChI=1S/C15H16N2S/c1-5-13(11-16-7-1)15-12(4-2-8-17-15)10-14-6-3-9-18-14/h1,3,5-7,9-11,15,17H,2,4,8H2/b12-10+
InChIKeyMCKVZDGZQHXULH-ZRDIBKRKSA-N
MW256.37 g/mol
LogP3.65
Rot. Bonds2

About 3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine

3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine (PubChem CID 91754967) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine
PubChem CID91754967
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine
SMILESC(=C1\CCCNC1c1cccnc1)\c1cccs1
InChIInChI=1S/C15H16N2S/c1-5-13(11-16-7-1)15-12(4-2-8-17-15)10-14-6-3-9-18-14/h1,3,5-7,9-11,15,17H,2,4,8H2/b12-10+
InChIKeyMCKVZDGZQHXULH-ZRDIBKRKSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine?
The IUPAC name of 3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine (CID 91754967) is 3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine is C(=C1\CCCNC1c1cccnc1)\c1cccs1.
What is the InChIKey of 3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine?
The InChIKey is MCKVZDGZQHXULH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H16N2S/c1-5-13(11-16-7-1)15-12(4-2-8-17-15)10-14-6-3-9-18-14/h1,3,5-7,9-11,15,17H,2,4,8H2/b12-10+.
What are the key properties of 3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine?
3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine has a molecular weight of 256.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-3-(thiophen-2-ylmethylidene)piperidin-2-yl]pyridine is sourced from PubChem (CID 91754967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).