1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile

C11H20N2O — CID 103993940

IUPAC1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
SMILESCCOCCN1CCC(C)(C#N)CC1
InChIInChI=1S/C11H20N2O/c1-3-14-9-8-13-6-4-11(2,10-12)5-7-13/h3-9H2,1-2H3
InChIKeyXBOAJHQMVLWBOU-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.65
Rot. Bonds4

About 1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile

1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile (PubChem CID 103993940) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
PubChem CID103993940
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
SMILESCCOCCN1CCC(C)(C#N)CC1
InChIInChI=1S/C11H20N2O/c1-3-14-9-8-13-6-4-11(2,10-12)5-7-13/h3-9H2,1-2H3
InChIKeyXBOAJHQMVLWBOU-UHFFFAOYSA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile
CID 103994003
4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile
CID 107160799
1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile
CID 103993957
1-(4-hydroxybutyl)-4-methylpiperidine-4-carbonitrile
CID 103994156
4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile
CID 102672948
5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile
CID 56778759
3-methyl-1-pentylpyrrolidine-3-carbonitrile
CID 142123327
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
1-(2-ethoxyethyl)piperidine
CID 22622871
1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone
CID 122212870
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile
CID 10384538

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile (CID 103993940) is 1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile is CCOCCN1CCC(C)(C#N)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile?
The InChIKey is XBOAJHQMVLWBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-14-9-8-13-6-4-11(2,10-12)5-7-13/h3-9H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile?
1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 103993940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).