2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile

C18H26N2O — CID 114593266

IUPAC2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile
SMILESCC1CC(C)C(C)N(CCOc2ccc(CC#N)cc2)C1
InChIInChI=1S/C18H26N2O/c1-14-12-15(2)16(3)20(13-14)10-11-21-18-6-4-17(5-7-18)8-9-19/h4-7,14-16H,8,10-13H2,1-3H3
InChIKeyGACINKGANXUDDU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.50
Rot. Bonds5

About 2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile

2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile (PubChem CID 114593266) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile
PubChem CID114593266
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile
SMILESCC1CC(C)C(C)N(CCOc2ccc(CC#N)cc2)C1
InChIInChI=1S/C18H26N2O/c1-14-12-15(2)16(3)20(13-14)10-11-21-18-6-4-17(5-7-18)8-9-19/h4-7,14-16H,8,10-13H2,1-3H3
InChIKeyGACINKGANXUDDU-UHFFFAOYSA-N
XLogP3.50
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 114592329
2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile
CID 79497204
2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
CID 142818530
2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile
CID 43288567
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
CID 114592202
methyl (2R)-1-[2-[4-(cyanomethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
CID 96547821
2-[4-[2-(3-ethylmorpholin-4-yl)ethoxy]phenyl]acetonitrile
CID 43613148
2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]acetonitrile
CID 43586007
2-[4-[2-(3-propan-2-ylpyrrolidin-1-yl)ethoxy]phenyl]acetonitrile
CID 115688495
2-[4-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethoxy]phenyl]acetonitrile
CID 62928760
2-[4-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]phenyl]acetonitrile
CID 63609172
1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62413368

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile (CID 114593266) is 2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile is CC1CC(C)C(C)N(CCOc2ccc(CC#N)cc2)C1.
What is the InChIKey of 2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile?
The InChIKey is GACINKGANXUDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-12-15(2)16(3)20(13-14)10-11-21-18-6-4-17(5-7-18)8-9-19/h4-7,14-16H,8,10-13H2,1-3H3.
What are the key properties of 2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile?
2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 114593266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).