6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile

C17H24N2 — CID 117021180

IUPAC6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile
SMILESCc1cc(C)c(N2CC(C#N)CCC2(C)C)c(C)c1
InChIInChI=1S/C17H24N2/c1-12-8-13(2)16(14(3)9-12)19-11-15(10-18)6-7-17(19,4)5/h8-9,15H,6-7,11H2,1-5H3
InChIKeyYKGJWQWKZLDTKX-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.13
Rot. Bonds1

About 6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile

6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile (PubChem CID 117021180) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile
PubChem CID117021180
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile
SMILESCc1cc(C)c(N2CC(C#N)CCC2(C)C)c(C)c1
InChIInChI=1S/C17H24N2/c1-12-8-13(2)16(14(3)9-12)19-11-15(10-18)6-7-17(19,4)5/h8-9,15H,6-7,11H2,1-5H3
InChIKeyYKGJWQWKZLDTKX-UHFFFAOYSA-N
XLogP4.13
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile
CID 117021196
1-benzyl-6,6-dimethylpiperidine-3-carbonitrile
CID 117021153
1-(4-chloro-2-methylphenyl)-5,5-dimethylpyrrolidine-3-carbonitrile
CID 117018322
1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017956
1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine
CID 117021094
1-(3-chloro-4-methylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020289
[6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine
CID 117021515
2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol
CID 117017428
1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 117017829
[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine
CID 117025776
1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020305
2-[1-(3-bromo-4-methylphenyl)-6,6-dimethylpiperidin-3-yl]acetonitrile
CID 117021410

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile?
The IUPAC name of 6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile (CID 117021180) is 6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile.
What is the SMILES notation for 6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile?
The canonical SMILES for 6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile is Cc1cc(C)c(N2CC(C#N)CCC2(C)C)c(C)c1.
What is the InChIKey of 6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile?
The InChIKey is YKGJWQWKZLDTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12-8-13(2)16(14(3)9-12)19-11-15(10-18)6-7-17(19,4)5/h8-9,15H,6-7,11H2,1-5H3.
What are the key properties of 6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile?
6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile has a molecular weight of 256.39 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(2,4,6-trimethylphenyl)piperidine-3-carbonitrile is sourced from PubChem (CID 117021180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).