4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile

C13H26N4 — CID 63029842

IUPAC4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CCN(CC)CC1
InChIInChI=1S/C13H26N4/c1-3-6-15-13(12-14)5-7-17-10-8-16(4-2)9-11-17/h13,15H,3-11H2,1-2H3
InChIKeyLDBJXGIEYOSZNM-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.91
Rot. Bonds7

About 4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile

4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile (PubChem CID 63029842) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile
PubChem CID63029842
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CCN(CC)CC1
InChIInChI=1S/C13H26N4/c1-3-6-15-13(12-14)5-7-17-10-8-16(4-2)9-11-17/h13,15H,3-11H2,1-2H3
InChIKeyLDBJXGIEYOSZNM-UHFFFAOYSA-N
XLogP0.91
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile (CID 63029842) is 4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile is CCCNC(C#N)CCN1CCN(CC)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile?
The InChIKey is LDBJXGIEYOSZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-3-6-15-13(12-14)5-7-17-10-8-16(4-2)9-11-17/h13,15H,3-11H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile?
4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile has a molecular weight of 238.38 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile is sourced from PubChem (CID 63029842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).