2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile

C17H24N2O — CID 103714068

IUPAC2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
SMILESCC(C)C1CCN(CCOc2ccccc2C#N)CC1
InChIInChI=1S/C17H24N2O/c1-14(2)15-7-9-19(10-8-15)11-12-20-17-6-4-3-5-16(17)13-18/h3-6,14-15H,7-12H2,1-2H3
InChIKeySIGVZIMSJOTURB-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.31
Rot. Bonds5

About 2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile

2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile (PubChem CID 103714068) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
PubChem CID103714068
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
SMILESCC(C)C1CCN(CCOc2ccccc2C#N)CC1
InChIInChI=1S/C17H24N2O/c1-14(2)15-7-9-19(10-8-15)11-12-20-17-6-4-3-5-16(17)13-18/h3-6,14-15H,7-12H2,1-2H3
InChIKeySIGVZIMSJOTURB-UHFFFAOYSA-N
XLogP3.31
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-(3,4-dihydroxypyrrolidin-1-yl)ethoxy]benzonitrile
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3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
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2-[3-[(3R,4R)-3,4-dimethylpiperidin-1-yl]propoxy]benzonitrile
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2-[3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propoxy]benzonitrile
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2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethoxy]benzonitrile
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2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethoxy]benzonitrile
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4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
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2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 175765241

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile (CID 103714068) is 2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile is CC(C)C1CCN(CCOc2ccccc2C#N)CC1.
What is the InChIKey of 2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile?
The InChIKey is SIGVZIMSJOTURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(2)15-7-9-19(10-8-15)11-12-20-17-6-4-3-5-16(17)13-18/h3-6,14-15H,7-12H2,1-2H3.
What are the key properties of 2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile?
2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 103714068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).