4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile

C15H20N2O — CID 103760393

IUPAC4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile
SMILESCc1ccc(C#N)cc1OCCN1CCCCC1
InChIInChI=1S/C15H20N2O/c1-13-5-6-14(12-16)11-15(13)18-10-9-17-7-3-2-4-8-17/h5-6,11H,2-4,7-10H2,1H3
InChIKeyXKPSCURCWCMAIX-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.73
Rot. Bonds4

About 4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile

4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile (PubChem CID 103760393) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile.

Molecular Properties

Compound Name4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile
PubChem CID103760393
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile
SMILESCc1ccc(C#N)cc1OCCN1CCCCC1
InChIInChI=1S/C15H20N2O/c1-13-5-6-14(12-16)11-15(13)18-10-9-17-7-3-2-4-8-17/h5-6,11H,2-4,7-10H2,1H3
InChIKeyXKPSCURCWCMAIX-UHFFFAOYSA-N
XLogP2.73
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-ethoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzonitrile
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6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
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4-methyl-3-(2-pyrazol-1-ylethoxy)benzonitrile
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2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile
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4-methyl-3-[2-(propan-2-ylamino)ethoxy]benzonitrile
CID 107658267
2-methyl-4-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 81281553
3-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 63214707
N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
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3-chloro-5-ethoxy-4-(2-piperidin-1-ylethoxy)benzonitrile
CID 20986085
3-(6-chlorohexoxy)-4-methylbenzonitrile
CID 107657561

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile?
The IUPAC name of 4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile (CID 103760393) is 4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile.
What is the SMILES notation for 4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile?
The canonical SMILES for 4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile is Cc1ccc(C#N)cc1OCCN1CCCCC1.
What is the InChIKey of 4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile?
The InChIKey is XKPSCURCWCMAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-13-5-6-14(12-16)11-15(13)18-10-9-17-7-3-2-4-8-17/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile?
4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile is sourced from PubChem (CID 103760393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).