3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile

C10H19N3O — CID 94254427

IUPAC3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile
SMILESCOCCN1CCN(CCC#N)CC1
InChIInChI=1S/C10H19N3O/c1-14-10-9-13-7-5-12(6-8-13)4-2-3-11/h2,4-10H2,1H3
InChIKeyXMUOZWWZZVQKBY-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.16
Rot. Bonds5

About 3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile

3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile (PubChem CID 94254427) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile
PubChem CID94254427
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile
SMILESCOCCN1CCN(CCC#N)CC1
InChIInChI=1S/C10H19N3O/c1-14-10-9-13-7-5-12(6-8-13)4-2-3-11/h2,4-10H2,1H3
InChIKeyXMUOZWWZZVQKBY-UHFFFAOYSA-N
XLogP0.16
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholinepropanenitrile
CID 78298
N-(2-Dimethylaminoethyl)morpholine
CID 78091
2,6-Dimethyl-4-morpholinepropiononitrile
CID 98746
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanenitrile
CID 4739635
1-(2-Methoxyethyl)-4-(3-methoxypropyl)piperazine
CID 20426859
N,N-diethyl-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanamine
CID 68265802
2-Methyl-3-morpholin-4-ylpropanenitrile
CID 13401686
3-[4-(2-Methoxyethyl)-3-methylpiperazin-1-yl]butanenitrile
CID 53621689
1,4-Bis(2-methoxyethyl)piperazine
CID 13598995
1-(4-Fluorobutyl)-4-(2-methoxyethyl)piperazine
CID 70970407
1-[(2S)-2-fluoropropyl]-4-(2-methoxyethyl)piperazine
CID 71188956
trans N-(2-cyanoethyl)-2,6-dimethylmorpholine
CID 28372791

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile (CID 94254427) is 3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile is COCCN1CCN(CCC#N)CC1.
What is the InChIKey of 3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile?
The InChIKey is XMUOZWWZZVQKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-14-10-9-13-7-5-12(6-8-13)4-2-3-11/h2,4-10H2,1H3.
What are the key properties of 3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile?
3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile has a molecular weight of 197.28 g/mol, XLogP of 0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 94254427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).