2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile

C17H24N2 — CID 84751702

IUPAC2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile
SMILESCc1ccccc1CC(C)(C#N)N1CCCC(C)C1
InChIInChI=1S/C17H24N2/c1-14-7-6-10-19(12-14)17(3,13-18)11-16-9-5-4-8-15(16)2/h4-5,8-9,14H,6-7,10-12H2,1-3H3
InChIKeyZYBFHPRNFBEMKX-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.55
Rot. Bonds3

About 2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile

2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile (PubChem CID 84751702) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile
PubChem CID84751702
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile
SMILESCc1ccccc1CC(C)(C#N)N1CCCC(C)C1
InChIInChI=1S/C17H24N2/c1-14-7-6-10-19(12-14)17(3,13-18)11-16-9-5-4-8-15(16)2/h4-5,8-9,14H,6-7,10-12H2,1-3H3
InChIKeyZYBFHPRNFBEMKX-UHFFFAOYSA-N
XLogP3.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile?
The IUPAC name of 2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile (CID 84751702) is 2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile is Cc1ccccc1CC(C)(C#N)N1CCCC(C)C1.
What is the InChIKey of 2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile?
The InChIKey is ZYBFHPRNFBEMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-14-7-6-10-19(12-14)17(3,13-18)11-16-9-5-4-8-15(16)2/h4-5,8-9,14H,6-7,10-12H2,1-3H3.
What are the key properties of 2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile?
2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile has a molecular weight of 256.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylphenyl)-2-(3-methylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 84751702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).