2-[phenyl(thiophen-2-yl)methylidene]piperidine

C16H17NS — CID 67565511

IUPAC2-[phenyl(thiophen-2-yl)methylidene]piperidine
SMILESc1ccc(C(=C2CCCCN2)c2cccs2)cc1
InChIInChI=1S/C16H17NS/c1-2-7-13(8-3-1)16(15-10-6-12-18-15)14-9-4-5-11-17-14/h1-3,6-8,10,12,17H,4-5,9,11H2
InChIKeyTWLCCDOATOUDHL-UHFFFAOYSA-N
MW255.39 g/mol
LogP4.28
Rot. Bonds2

About 2-[phenyl(thiophen-2-yl)methylidene]piperidine

2-[phenyl(thiophen-2-yl)methylidene]piperidine (PubChem CID 67565511) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[phenyl(thiophen-2-yl)methylidene]piperidine.

Molecular Properties

Compound Name2-[phenyl(thiophen-2-yl)methylidene]piperidine
PubChem CID67565511
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name2-[phenyl(thiophen-2-yl)methylidene]piperidine
SMILESc1ccc(C(=C2CCCCN2)c2cccs2)cc1
InChIInChI=1S/C16H17NS/c1-2-7-13(8-3-1)16(15-10-6-12-18-15)14-9-4-5-11-17-14/h1-3,6-8,10,12,17H,4-5,9,11H2
InChIKeyTWLCCDOATOUDHL-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[phenyl(thiophen-2-yl)methylidene]piperidine?
The IUPAC name of 2-[phenyl(thiophen-2-yl)methylidene]piperidine (CID 67565511) is 2-[phenyl(thiophen-2-yl)methylidene]piperidine.
What is the SMILES notation for 2-[phenyl(thiophen-2-yl)methylidene]piperidine?
The canonical SMILES for 2-[phenyl(thiophen-2-yl)methylidene]piperidine is c1ccc(C(=C2CCCCN2)c2cccs2)cc1.
What is the InChIKey of 2-[phenyl(thiophen-2-yl)methylidene]piperidine?
The InChIKey is TWLCCDOATOUDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-2-7-13(8-3-1)16(15-10-6-12-18-15)14-9-4-5-11-17-14/h1-3,6-8,10,12,17H,4-5,9,11H2.
What are the key properties of 2-[phenyl(thiophen-2-yl)methylidene]piperidine?
2-[phenyl(thiophen-2-yl)methylidene]piperidine has a molecular weight of 255.39 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(thiophen-2-yl)methylidene]piperidine is sourced from PubChem (CID 67565511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).