6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile

C16H22N2 — CID 123962744

IUPAC6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile
SMILESCC1=CCCC(N2CCC(C)CC2)=C(C#N)C=C1
InChIInChI=1S/C16H22N2/c1-13-4-3-5-16(15(12-17)7-6-13)18-10-8-14(2)9-11-18/h4,6-7,14H,3,5,8-11H2,1-2H3
InChIKeyAGWGLKHUCIUVPE-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.79
Rot. Bonds1

About 6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile

6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile (PubChem CID 123962744) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile
PubChem CID123962744
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile
SMILESCC1=CCCC(N2CCC(C)CC2)=C(C#N)C=C1
InChIInChI=1S/C16H22N2/c1-13-4-3-5-16(15(12-17)7-6-13)18-10-8-14(2)9-11-18/h4,6-7,14H,3,5,8-11H2,1-2H3
InChIKeyAGWGLKHUCIUVPE-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile?
The IUPAC name of 6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile (CID 123962744) is 6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile.
What is the SMILES notation for 6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile?
The canonical SMILES for 6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile is CC1=CCCC(N2CCC(C)CC2)=C(C#N)C=C1.
What is the InChIKey of 6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile?
The InChIKey is AGWGLKHUCIUVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13-4-3-5-16(15(12-17)7-6-13)18-10-8-14(2)9-11-18/h4,6-7,14H,3,5,8-11H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile?
6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperidin-1-yl)cycloocta-1,5,7-triene-1-carbonitrile is sourced from PubChem (CID 123962744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).