2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile

C15H28N4O — CID 79165345

IUPAC2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CC2CN(CC)CCO2)CC1
InChIInChI=1S/C15H28N4O/c1-3-14(11-16)19-7-5-18(6-8-19)13-15-12-17(4-2)9-10-20-15/h14-15H,3-10,12-13H2,1-2H3
InChIKeyBHAXTVAPWKNCOI-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.63
Rot. Bonds5

About 2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile

2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile (PubChem CID 79165345) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile
PubChem CID79165345
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CC2CN(CC)CCO2)CC1
InChIInChI=1S/C15H28N4O/c1-3-14(11-16)19-7-5-18(6-8-19)13-15-12-17(4-2)9-10-20-15/h14-15H,3-10,12-13H2,1-2H3
InChIKeyBHAXTVAPWKNCOI-UHFFFAOYSA-N
XLogP0.63
TPSA42.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile
CID 63339441
2-[4-(oxan-4-ylmethyl)piperazin-1-yl]butanenitrile
CID 63339955
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile
CID 79165770
2,4-diethylmorpholine
CID 58988021
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide
CID 79172211
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
CID 115766883
[1-[(4-ethylmorpholin-2-yl)methyl]-4-methylpiperidin-4-yl]methanamine
CID 107160487
2-[4-(2,2-difluoroethyl)piperazin-1-yl]butanenitrile
CID 55219345

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile (CID 79165345) is 2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(CC2CN(CC)CCO2)CC1.
What is the InChIKey of 2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile?
The InChIKey is BHAXTVAPWKNCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-14(11-16)19-7-5-18(6-8-19)13-15-12-17(4-2)9-10-20-15/h14-15H,3-10,12-13H2,1-2H3.
What are the key properties of 2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile?
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile has a molecular weight of 280.42 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile is sourced from PubChem (CID 79165345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).