4-(thiophen-2-ylmethylidene)piperidine

C10H13NS — CID 79880613

IUPAC4-(thiophen-2-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)c1cccs1
InChIInChI=1S/C10H13NS/c1-2-10(12-7-1)8-9-3-5-11-6-4-9/h1-2,7-8,11H,3-6H2
InChIKeyAHPCEMXXUDAIHC-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.51
Rot. Bonds1

About 4-(thiophen-2-ylmethylidene)piperidine

4-(thiophen-2-ylmethylidene)piperidine (PubChem CID 79880613) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethylidene)piperidine.

Molecular Properties

Compound Name4-(thiophen-2-ylmethylidene)piperidine
PubChem CID79880613
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name4-(thiophen-2-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)c1cccs1
InChIInChI=1S/C10H13NS/c1-2-10(12-7-1)8-9-3-5-11-6-4-9/h1-2,7-8,11H,3-6H2
InChIKeyAHPCEMXXUDAIHC-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethylidene)piperidine?
The IUPAC name of 4-(thiophen-2-ylmethylidene)piperidine (CID 79880613) is 4-(thiophen-2-ylmethylidene)piperidine.
What is the SMILES notation for 4-(thiophen-2-ylmethylidene)piperidine?
The canonical SMILES for 4-(thiophen-2-ylmethylidene)piperidine is C(=C1CCNCC1)c1cccs1.
What is the InChIKey of 4-(thiophen-2-ylmethylidene)piperidine?
The InChIKey is AHPCEMXXUDAIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-2-10(12-7-1)8-9-3-5-11-6-4-9/h1-2,7-8,11H,3-6H2.
What are the key properties of 4-(thiophen-2-ylmethylidene)piperidine?
4-(thiophen-2-ylmethylidene)piperidine has a molecular weight of 179.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethylidene)piperidine is sourced from PubChem (CID 79880613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).