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

C16H22N2 — CID 117024520

IUPAC1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile
SMILESCc1ccc(N2CCC(C#N)C(C)(C)C2)c(C)c1
InChIInChI=1S/C16H22N2/c1-12-5-6-15(13(2)9-12)18-8-7-14(10-17)16(3,4)11-18/h5-6,9,14H,7-8,11H2,1-4H3
InChIKeyQARMJGJTMPIUPB-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.68
Rot. Bonds1

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

1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile (PubChem CID 117024520) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile
PubChem CID117024520
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile
SMILESCc1ccc(N2CCC(C#N)C(C)(C)C2)c(C)c1
InChIInChI=1S/C16H22N2/c1-12-5-6-15(13(2)9-12)18-8-7-14(10-17)16(3,4)11-18/h5-6,9,14H,7-8,11H2,1-4H3
InChIKeyQARMJGJTMPIUPB-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

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Related Compounds

1-(3-bromophenyl)-3,3-dimethylpiperidine-4-carbonitrile
CID 117024554
1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile
CID 117024552
1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine
CID 64925997
1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine
CID 117024465
1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine
CID 71106426
1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003256
1-(2-methoxy-5-methylphenyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017225
1-(4-bromo-2-methylphenyl)piperidine-4-carbonitrile
CID 117003373
2-[[1-(2,4-dimethylphenyl)piperidin-3-yl]-methylamino]acetonitrile
CID 117004844
4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile
CID 117025414
2-[1-(2,4-dimethylphenyl)pyrrolidin-3-ylidene]propanedinitrile
CID 23052853
3-amino-1-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117011884

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile (CID 117024520) is 1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile is Cc1ccc(N2CCC(C#N)C(C)(C)C2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile?
The InChIKey is QARMJGJTMPIUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-5-6-15(13(2)9-12)18-8-7-14(10-17)16(3,4)11-18/h5-6,9,14H,7-8,11H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile?
1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-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-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile is sourced from PubChem (CID 117024520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).