4,4-dimethyl-2-piperazin-1-ylpentanenitrile

C11H21N3 — CID 62951531

IUPAC4,4-dimethyl-2-piperazin-1-ylpentanenitrile
SMILESCC(C)(C)CC(C#N)N1CCNCC1
InChIInChI=1S/C11H21N3/c1-11(2,3)8-10(9-12)14-6-4-13-5-7-14/h10,13H,4-8H2,1-3H3
InChIKeyZCEXVAAITFAGEE-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.22
Rot. Bonds2

About 4,4-dimethyl-2-piperazin-1-ylpentanenitrile

4,4-dimethyl-2-piperazin-1-ylpentanenitrile (PubChem CID 62951531) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-piperazin-1-ylpentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-2-piperazin-1-ylpentanenitrile
PubChem CID62951531
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4,4-dimethyl-2-piperazin-1-ylpentanenitrile
SMILESCC(C)(C)CC(C#N)N1CCNCC1
InChIInChI=1S/C11H21N3/c1-11(2,3)8-10(9-12)14-6-4-13-5-7-14/h10,13H,4-8H2,1-3H3
InChIKeyZCEXVAAITFAGEE-UHFFFAOYSA-N
XLogP1.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-piperazin-1-ylpentanenitrile?
The IUPAC name of 4,4-dimethyl-2-piperazin-1-ylpentanenitrile (CID 62951531) is 4,4-dimethyl-2-piperazin-1-ylpentanenitrile.
What is the SMILES notation for 4,4-dimethyl-2-piperazin-1-ylpentanenitrile?
The canonical SMILES for 4,4-dimethyl-2-piperazin-1-ylpentanenitrile is CC(C)(C)CC(C#N)N1CCNCC1.
What is the InChIKey of 4,4-dimethyl-2-piperazin-1-ylpentanenitrile?
The InChIKey is ZCEXVAAITFAGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,3)8-10(9-12)14-6-4-13-5-7-14/h10,13H,4-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-piperazin-1-ylpentanenitrile?
4,4-dimethyl-2-piperazin-1-ylpentanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-piperazin-1-ylpentanenitrile is sourced from PubChem (CID 62951531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).