1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile

C11H20N4O — CID 79183062

IUPAC1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile
SMILESCN1CCOC(CN2CCNCC2C#N)C1
InChIInChI=1S/C11H20N4O/c1-14-4-5-16-11(8-14)9-15-3-2-13-7-10(15)6-12/h10-11,13H,2-5,7-9H2,1H3
InChIKeyUDSAEQAHMSDZFC-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.89
Rot. Bonds2

About 1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile

1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile (PubChem CID 79183062) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile
PubChem CID79183062
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile
SMILESCN1CCOC(CN2CCNCC2C#N)C1
InChIInChI=1S/C11H20N4O/c1-14-4-5-16-11(8-14)9-15-3-2-13-7-10(15)6-12/h10-11,13H,2-5,7-9H2,1H3
InChIKeyUDSAEQAHMSDZFC-UHFFFAOYSA-N
XLogP-0.89
TPSA51.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-4-ylmethyl)piperazine-2-carbonitrile
CID 79085955
1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile
CID 103136172
ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
CID 144702613
4-methyl-2-[(2-piperidin-3-ylpyrrolidin-1-yl)methyl]morpholine
CID 79182589
1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile
CID 82892035
1-(2-cyclopropylethyl)piperazine-2-carbonitrile
CID 79085569
1-(2-hydroxyethyl)piperazine-2-carbonitrile
CID 79085109
1-(2-methylpropyl)piperazine-2-carbonitrile
CID 79085427
1-[(4,4-difluoro-5-oxooxolan-2-yl)methyl]piperazine-2-carbonitrile
CID 106493065
2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-4-methylmorpholine
CID 79182793
1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile
CID 79165770
1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile
CID 79558167

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile (CID 79183062) is 1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile is CN1CCOC(CN2CCNCC2C#N)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile?
The InChIKey is UDSAEQAHMSDZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14-4-5-16-11(8-14)9-15-3-2-13-7-10(15)6-12/h10-11,13H,2-5,7-9H2,1H3.
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile?
1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile has a molecular weight of 224.31 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79183062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).