2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile

C11H21N3O — CID 65421184

IUPAC2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile
SMILESCCC(C#N)(COC)N1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-4-11(9-12,10-15-3)14-7-5-13(2)6-8-14/h4-8,10H2,1-3H3
InChIKeyCQFVQCDDJZNMGH-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.55
Rot. Bonds4

About 2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile

2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile (PubChem CID 65421184) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile
PubChem CID65421184
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile
SMILESCCC(C#N)(COC)N1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-4-11(9-12,10-15-3)14-7-5-13(2)6-8-14/h4-8,10H2,1-3H3
InChIKeyCQFVQCDDJZNMGH-UHFFFAOYSA-N
XLogP0.55
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile?
The IUPAC name of 2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile (CID 65421184) is 2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile is CCC(C#N)(COC)N1CCN(C)CC1.
What is the InChIKey of 2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile?
The InChIKey is CQFVQCDDJZNMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-11(9-12,10-15-3)14-7-5-13(2)6-8-14/h4-8,10H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile?
2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile has a molecular weight of 211.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-(4-methylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 65421184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).