2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine

C18H21NO2S — CID 25079413

IUPAC2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine
SMILESc1ccc(C2(c3cccs3)OCC(C3CCCCN3)O2)cc1
InChIInChI=1S/C18H21NO2S/c1-2-7-14(8-3-1)18(17-10-6-12-22-17)20-13-16(21-18)15-9-4-5-11-19-15/h1-3,6-8,10,12,15-16,19H,4-5,9,11,13H2
InChIKeyNGWJWUDMVYZBPO-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.51
Rot. Bonds3

About 2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine

2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine (PubChem CID 25079413) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine.

Molecular Properties

Compound Name2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine
PubChem CID25079413
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine
SMILESc1ccc(C2(c3cccs3)OCC(C3CCCCN3)O2)cc1
InChIInChI=1S/C18H21NO2S/c1-2-7-14(8-3-1)18(17-10-6-12-22-17)20-13-16(21-18)15-9-4-5-11-19-15/h1-3,6-8,10,12,15-16,19H,4-5,9,11,13H2
InChIKeyNGWJWUDMVYZBPO-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine?
The IUPAC name of 2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine (CID 25079413) is 2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine.
What is the SMILES notation for 2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine?
The canonical SMILES for 2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine is c1ccc(C2(c3cccs3)OCC(C3CCCCN3)O2)cc1.
What is the InChIKey of 2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine?
The InChIKey is NGWJWUDMVYZBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-2-7-14(8-3-1)18(17-10-6-12-22-17)20-13-16(21-18)15-9-4-5-11-19-15/h1-3,6-8,10,12,15-16,19H,4-5,9,11,13H2.
What are the key properties of 2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine?
2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine has a molecular weight of 315.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine is sourced from PubChem (CID 25079413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).