1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile

C16H22N2 — CID 117025421

IUPAC1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
SMILESCc1cccc(C)c1N1CCC(C)(C)C(C#N)C1
InChIInChI=1S/C16H22N2/c1-12-6-5-7-13(2)15(12)18-9-8-16(3,4)14(10-17)11-18/h5-7,14H,8-9,11H2,1-4H3
InChIKeyGFRSKGZUSWOYCC-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.68
Rot. Bonds1

About 1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile

1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile (PubChem CID 117025421) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
PubChem CID117025421
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
SMILESCc1cccc(C)c1N1CCC(C)(C)C(C#N)C1
InChIInChI=1S/C16H22N2/c1-12-6-5-7-13(2)15(12)18-9-8-16(3,4)14(10-17)11-18/h5-7,14H,8-9,11H2,1-4H3
InChIKeyGFRSKGZUSWOYCC-UHFFFAOYSA-N
XLogP3.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile
CID 117025414
1-(3-acetylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
CID 117025447
2-(3,3-dimethylpyrrolidin-1-yl)-3-methylbenzonitrile
CID 107107056
1-ethyl-4,4-dimethylpiperidine-3-carbonitrile
CID 117025384
3-methyl-2-(3-methylpiperazin-1-yl)benzonitrile
CID 107111425
1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol
CID 82296595
[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine
CID 117025776
N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine
CID 117025339
[1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024942
3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanenitrile
CID 22397534
3-methyl-2-(3-phenylpyrrolidin-1-yl)benzonitrile
CID 107106787
2-(3-ethyl-4-methylpiperazin-1-yl)-3-methylbenzonitrile
CID 107106901

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile?
The IUPAC name of 1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile (CID 117025421) is 1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile is Cc1cccc(C)c1N1CCC(C)(C)C(C#N)C1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile?
The InChIKey is GFRSKGZUSWOYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-6-5-7-13(2)15(12)18-9-8-16(3,4)14(10-17)11-18/h5-7,14H,8-9,11H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile?
1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile is sourced from PubChem (CID 117025421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).