1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile

C11H14N2S — CID 59443916

IUPAC1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(c2cccs2)CC1
InChIInChI=1S/C11H14N2S/c1-13-6-4-11(9-12,5-7-13)10-3-2-8-14-10/h2-3,8H,4-7H2,1H3
InChIKeyKJPUUEQJTPUFKI-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.24
Rot. Bonds1

About 1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile

1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile (PubChem CID 59443916) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile
PubChem CID59443916
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(c2cccs2)CC1
InChIInChI=1S/C11H14N2S/c1-13-6-4-11(9-12,5-7-13)10-3-2-8-14-10/h2-3,8H,4-7H2,1H3
InChIKeyKJPUUEQJTPUFKI-UHFFFAOYSA-N
XLogP2.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile?
The IUPAC name of 1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile (CID 59443916) is 1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile?
The canonical SMILES for 1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile is CN1CCC(C#N)(c2cccs2)CC1.
What is the InChIKey of 1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile?
The InChIKey is KJPUUEQJTPUFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-13-6-4-11(9-12,5-7-13)10-3-2-8-14-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile?
1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 59443916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).