2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile

C11H21N3 — CID 65250987

IUPAC2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile
SMILESCC1CNCCN1CCC(C)(C)C#N
InChIInChI=1S/C11H21N3/c1-10-8-13-5-7-14(10)6-4-11(2,3)9-12/h10,13H,4-8H2,1-3H3
InChIKeySXJDEUFSJOMQGV-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.22
Rot. Bonds3

About 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile

2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile (PubChem CID 65250987) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile
PubChem CID65250987
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile
SMILESCC1CNCCN1CCC(C)(C)C#N
InChIInChI=1S/C11H21N3/c1-10-8-13-5-7-14(10)6-4-11(2,3)9-12/h10,13H,4-8H2,1-3H3
InChIKeySXJDEUFSJOMQGV-UHFFFAOYSA-N
XLogP1.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64565894
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
7-(2-methylpiperazin-1-yl)heptanenitrile
CID 50999683
(2S)-2-methyl-1-pent-3-ynylpiperazine
CID 104809127
(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 82756199
1-(2-tert-butylsulfonylethyl)-2-methylpiperazine
CID 103815390
methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride
CID 120837084
(2R)-1-(3-fluoropropyl)-2-methylpiperazine
CID 82761622
2-methyl-1-(2-methylpropyl)piperazine
CID 53405905
(2R)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82761100
(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82755408
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile (CID 65250987) is 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile is CC1CNCCN1CCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile?
The InChIKey is SXJDEUFSJOMQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10-8-13-5-7-14(10)6-4-11(2,3)9-12/h10,13H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile?
2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 65250987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).