3-(4-methylpiperazin-1-yl)propanenitrile

C8H15N3 — CID 3050146

IUPAC3-(4-methylpiperazin-1-yl)propanenitrile
SMILESCN1CCN(CCC#N)CC1
InChIInChI=1S/C8H15N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2,4-8H2,1H3
InChIKeyXMZMOGFGIJQCHN-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.15
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)propanenitrile

3-(4-methylpiperazin-1-yl)propanenitrile (PubChem CID 3050146) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)propanenitrile
PubChem CID3050146
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-(4-methylpiperazin-1-yl)propanenitrile
SMILESCN1CCN(CCC#N)CC1
InChIInChI=1S/C8H15N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2,4-8H2,1H3
InChIKeyXMZMOGFGIJQCHN-UHFFFAOYSA-N
XLogP0.15
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)propanenitrile?
The IUPAC name of 3-(4-methylpiperazin-1-yl)propanenitrile (CID 3050146) is 3-(4-methylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)propanenitrile is CN1CCN(CCC#N)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)propanenitrile?
The InChIKey is XMZMOGFGIJQCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2,4-8H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)propanenitrile?
3-(4-methylpiperazin-1-yl)propanenitrile has a molecular weight of 153.23 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 3050146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).