4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile

C13H26N4 — CID 63029843

IUPAC4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCCN1CCN(CCC(C#N)NC(C)C)CC1
InChIInChI=1S/C13H26N4/c1-4-16-7-9-17(10-8-16)6-5-13(11-14)15-12(2)3/h12-13,15H,4-10H2,1-3H3
InChIKeyXEIRBURCOFOHFF-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.90
Rot. Bonds6

About 4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile

4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile (PubChem CID 63029843) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile
PubChem CID63029843
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCCN1CCN(CCC(C#N)NC(C)C)CC1
InChIInChI=1S/C13H26N4/c1-4-16-7-9-17(10-8-16)6-5-13(11-14)15-12(2)3/h12-13,15H,4-10H2,1-3H3
InChIKeyXEIRBURCOFOHFF-UHFFFAOYSA-N
XLogP0.90
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029454
4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 55144475
4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63159208
4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile
CID 63029842
4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63027929
4-(3-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029256
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile
CID 63165673
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)butanenitrile
CID 81199404
4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63171009
4-(2,5-dioxopyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029343
2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile
CID 63029852
4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63159348

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile (CID 63029843) is 4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile is CCN1CCN(CCC(C#N)NC(C)C)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The InChIKey is XEIRBURCOFOHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-16-7-9-17(10-8-16)6-5-13(11-14)15-12(2)3/h12-13,15H,4-10H2,1-3H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile?
4-(4-ethylpiperazin-1-yl)-2-(propan-2-ylamino)butanenitrile has a molecular weight of 238.38 g/mol, XLogP of 0.90, 6 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-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63029843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).