1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine

C18H21NS — CID 152666703

IUPAC1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine
SMILESCN1CCCCC1C=Cc1ccccc1-c1cccs1
InChIInChI=1S/C18H21NS/c1-19-13-5-4-8-16(19)12-11-15-7-2-3-9-17(15)18-10-6-14-20-18/h2-3,6-7,9-12,14,16H,4-5,8,13H2,1H3
InChIKeyZKQWAJQDWCUYRJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.91
Rot. Bonds3

About 1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine

1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine (PubChem CID 152666703) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine.

Molecular Properties

Compound Name1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine
PubChem CID152666703
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine
SMILESCN1CCCCC1C=Cc1ccccc1-c1cccs1
InChIInChI=1S/C18H21NS/c1-19-13-5-4-8-16(19)12-11-15-7-2-3-9-17(15)18-10-6-14-20-18/h2-3,6-7,9-12,14,16H,4-5,8,13H2,1H3
InChIKeyZKQWAJQDWCUYRJ-UHFFFAOYSA-N
XLogP4.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine?
The IUPAC name of 1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine (CID 152666703) is 1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine.
What is the SMILES notation for 1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine?
The canonical SMILES for 1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine is CN1CCCCC1C=Cc1ccccc1-c1cccs1.
What is the InChIKey of 1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine?
The InChIKey is ZKQWAJQDWCUYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-19-13-5-4-8-16(19)12-11-15-7-2-3-9-17(15)18-10-6-14-20-18/h2-3,6-7,9-12,14,16H,4-5,8,13H2,1H3.
What are the key properties of 1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine?
1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine has a molecular weight of 283.44 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine is sourced from PubChem (CID 152666703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).