3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile

C17H24N2O2 — CID 84750326

IUPAC3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile
SMILESCCOc1cccc(CC(C)(C#N)N2CCCCC2)c1O
InChIInChI=1S/C17H24N2O2/c1-3-21-15-9-7-8-14(16(15)20)12-17(2,13-18)19-10-5-4-6-11-19/h7-9,20H,3-6,10-12H2,1-2H3
InChIKeyBURHMFZOGMUQGY-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.10
Rot. Bonds5

About 3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile

3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile (PubChem CID 84750326) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile.

Molecular Properties

Compound Name3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile
PubChem CID84750326
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile
SMILESCCOc1cccc(CC(C)(C#N)N2CCCCC2)c1O
InChIInChI=1S/C17H24N2O2/c1-3-21-15-9-7-8-14(16(15)20)12-17(2,13-18)19-10-5-4-6-11-19/h7-9,20H,3-6,10-12H2,1-2H3
InChIKeyBURHMFZOGMUQGY-UHFFFAOYSA-N
XLogP3.10
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile
CID 84751935
2-(azepan-1-yl)-3-(2-fluorophenyl)-2-methylpropanenitrile
CID 84751667
2-(azepan-1-yl)-3-(2-hydroxy-5-methylphenyl)-2-methylpropanenitrile
CID 84751679
2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol
CID 84746530
2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657450
2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82980200
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916438
3-(3-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropanenitrile
CID 82093664
2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile
CID 82083214
3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 82079350

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile?
The IUPAC name of 3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile (CID 84750326) is 3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile.
What is the SMILES notation for 3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile?
The canonical SMILES for 3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile is CCOc1cccc(CC(C)(C#N)N2CCCCC2)c1O.
What is the InChIKey of 3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile?
The InChIKey is BURHMFZOGMUQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-21-15-9-7-8-14(16(15)20)12-17(2,13-18)19-10-5-4-6-11-19/h7-9,20H,3-6,10-12H2,1-2H3.
What are the key properties of 3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile?
3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile has a molecular weight of 288.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile is sourced from PubChem (CID 84750326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).