4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile

C24H30N2O — CID 102460269

IUPAC4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile
SMILESCC1(C)CCCC(C)(C)N1OC(Cc1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C24H30N2O/c1-23(2)15-8-16-24(3,4)26(23)27-22(17-19-9-6-5-7-10-19)21-13-11-20(18-25)12-14-21/h5-7,9-14,22H,8,15-17H2,1-4H3
InChIKeyJSHAPRQSBBIQLE-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.82
Rot. Bonds5

About 4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile

4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile (PubChem CID 102460269) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile
PubChem CID102460269
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile
SMILESCC1(C)CCCC(C)(C)N1OC(Cc1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C24H30N2O/c1-23(2)15-8-16-24(3,4)26(23)27-22(17-19-9-6-5-7-10-19)21-13-11-20(18-25)12-14-21/h5-7,9-14,22H,8,15-17H2,1-4H3
InChIKeyJSHAPRQSBBIQLE-UHFFFAOYSA-N
XLogP5.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile 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

chloroethane;2,2,6,6-tetramethyl-1-(1-phenylbutoxy)piperidine
CID 91166169
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine
CID 22277884
4-(1,2-diphenylethyl)benzonitrile
CID 10039481
(2R)-2-(4-methylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanol
CID 102583972
[4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane
CID 139213166
1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine
CID 66554225
4-[4,4-dimethyl-2-phenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3H-pyrazol-5-yl]benzonitrile
CID 72724530
methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
4-[2-(4-bromophenyl)-2-methoxyethyl]benzonitrile
CID 146168388
chloro-dimethyl-[9-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]nonyl]silane
CID 100969512

Frequently Asked Questions

What is the IUPAC name of 4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile?
The IUPAC name of 4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile (CID 102460269) is 4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile?
The canonical SMILES for 4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile is CC1(C)CCCC(C)(C)N1OC(Cc1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile?
The InChIKey is JSHAPRQSBBIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-23(2)15-8-16-24(3,4)26(23)27-22(17-19-9-6-5-7-10-19)21-13-11-20(18-25)12-14-21/h5-7,9-14,22H,8,15-17H2,1-4H3.
What are the key properties of 4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile?
4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile has a molecular weight of 362.52 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile is sourced from PubChem (CID 102460269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).