4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile

C15H20N2O2 — CID 81305377

IUPAC4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile
SMILESCOc1ccc(C#N)c(OCCC2CCCCN2)c1
InChIInChI=1S/C15H20N2O2/c1-18-14-6-5-12(11-16)15(10-14)19-9-7-13-4-2-3-8-17-13/h5-6,10,13,17H,2-4,7-9H2,1H3
InChIKeyXORHUPANYQJEEZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.48
Rot. Bonds5

About 4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile

4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile (PubChem CID 81305377) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile
PubChem CID81305377
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile
SMILESCOc1ccc(C#N)c(OCCC2CCCCN2)c1
InChIInChI=1S/C15H20N2O2/c1-18-14-6-5-12(11-16)15(10-14)19-9-7-13-4-2-3-8-17-13/h5-6,10,13,17H,2-4,7-9H2,1H3
InChIKeyXORHUPANYQJEEZ-UHFFFAOYSA-N
XLogP2.48
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile
CID 81304983
4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile
CID 62925745
3-fluoro-4-(2-piperidin-2-ylethoxy)benzonitrile
CID 62349113
2-bromo-4-(piperidin-2-ylmethoxy)benzonitrile
CID 107281541
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile?
The IUPAC name of 4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile (CID 81305377) is 4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile.
What is the SMILES notation for 4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile?
The canonical SMILES for 4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile is COc1ccc(C#N)c(OCCC2CCCCN2)c1.
What is the InChIKey of 4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile?
The InChIKey is XORHUPANYQJEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-14-6-5-12(11-16)15(10-14)19-9-7-13-4-2-3-8-17-13/h5-6,10,13,17H,2-4,7-9H2,1H3.
What are the key properties of 4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile?
4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile is sourced from PubChem (CID 81305377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).