1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile

C16H22N2 — CID 117020276

IUPAC1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
SMILESCCc1ccc(N2CCC(C#N)CC2(C)C)cc1
InChIInChI=1S/C16H22N2/c1-4-13-5-7-15(8-6-13)18-10-9-14(12-17)11-16(18,2)3/h5-8,14H,4,9-11H2,1-3H3
InChIKeyOSSROICLOFPJDJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.77
Rot. Bonds2

About 1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile

1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile (PubChem CID 117020276) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
PubChem CID117020276
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
SMILESCCc1ccc(N2CCC(C#N)CC2(C)C)cc1
InChIInChI=1S/C16H22N2/c1-4-13-5-7-15(8-6-13)18-10-9-14(12-17)11-16(18,2)3/h5-8,14H,4,9-11H2,1-3H3
InChIKeyOSSROICLOFPJDJ-UHFFFAOYSA-N
XLogP3.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-amine
CID 117020110
2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
CID 117020563
1-(3-chloro-4-methylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020289
1-benzyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020253
1-cyclopropyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020239
2,2-dimethyl-1-propylpiperidine-4-carbonitrile
CID 117020237
1,3-bis(4-ethylphenyl)-2,2-difluoroimidazolidine
CID 139928195
[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine
CID 117020616
1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine
CID 117021673
1-(3-methoxypropyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020247
1-(4-methoxyphenyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017222
4-(4-ethylphenyl)morpholine
CID 20576442

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile?
The IUPAC name of 1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile (CID 117020276) is 1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile is CCc1ccc(N2CCC(C#N)CC2(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile?
The InChIKey is OSSROICLOFPJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-13-5-7-15(8-6-13)18-10-9-14(12-17)11-16(18,2)3/h5-8,14H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile?
1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile is sourced from PubChem (CID 117020276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).