2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile

C9H17N3 — CID 7098853

IUPAC2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile
SMILESCN1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C9H17N3/c1-9(2,8-10)12-6-4-11(3)5-7-12/h4-7H2,1-3H3
InChIKeySWRPBLUSCBYCPV-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.54
Rot. Bonds1

About 2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile

2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile (PubChem CID 7098853) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile
PubChem CID7098853
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile
SMILESCN1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C9H17N3/c1-9(2,8-10)12-6-4-11(3)5-7-12/h4-7H2,1-3H3
InChIKeySWRPBLUSCBYCPV-UHFFFAOYSA-N
XLogP0.54
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile (CID 7098853) is 2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile is CN1CCN(C(C)(C)C#N)CC1.
What is the InChIKey of 2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile?
The InChIKey is SWRPBLUSCBYCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2,8-10)12-6-4-11(3)5-7-12/h4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile?
2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile has a molecular weight of 167.26 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 7098853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).