2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile

C13H18N2S — CID 82083214

IUPAC2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile
SMILESCC(C#N)(Cc1cccs1)N1CCCCC1
InChIInChI=1S/C13H18N2S/c1-13(11-14,10-12-6-5-9-16-12)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyZJMCGLDLDCFBTM-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.06
Rot. Bonds3

About 2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile

2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile (PubChem CID 82083214) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile
PubChem CID82083214
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile
SMILESCC(C#N)(Cc1cccs1)N1CCCCC1
InChIInChI=1S/C13H18N2S/c1-13(11-14,10-12-6-5-9-16-12)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyZJMCGLDLDCFBTM-UHFFFAOYSA-N
XLogP3.06
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpropanenitrile
CID 82087255
2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
CID 82074760
2-(azepan-1-yl)-2-methyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 84751682
2-(azepan-1-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 84751674
(3-methyl-3-piperidin-1-yl-1-thiophen-2-ylbutan-2-yl)hydrazine
CID 105239963
4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine
CID 79056548
3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 84751976
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile
CID 117048835
2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile
CID 117048848
N,3-dimethyl-3-piperidin-1-yl-1-thiophen-2-ylpentan-2-amine
CID 79065597
3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine
CID 79068401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile?
The IUPAC name of 2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile (CID 82083214) is 2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile.
What is the SMILES notation for 2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile?
The canonical SMILES for 2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile is CC(C#N)(Cc1cccs1)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile?
The InChIKey is ZJMCGLDLDCFBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-13(11-14,10-12-6-5-9-16-12)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile?
2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile has a molecular weight of 234.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile is sourced from PubChem (CID 82083214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).