2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile

C8H15N3 — CID 142979155

IUPAC2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile
SMILESC[C@H]1CN(C)CCN1CC#N
InChIInChI=1S/C8H15N3/c1-8-7-10(2)5-6-11(8)4-3-9/h8H,4-7H2,1-2H3/t8-/m0/s1
InChIKeyDJGNIZLIZOPKPG-QMMMGPOBSA-N
MW153.23 g/mol
LogP0.15
Rot. Bonds1

About 2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile

2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile (PubChem CID 142979155) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile
PubChem CID142979155
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile
SMILESC[C@H]1CN(C)CCN1CC#N
InChIInChI=1S/C8H15N3/c1-8-7-10(2)5-6-11(8)4-3-9/h8H,4-7H2,1-2H3/t8-/m0/s1
InChIKeyDJGNIZLIZOPKPG-QMMMGPOBSA-N
XLogP0.15
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-2-methylpyrrolidin-1-yl]acetonitrile
CID 167444158
2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 66568123
(2S)-2,4-dimethyl-1-(2-methylpropyl)piperazine
CID 171515421
2-(4-amino-2-methylpiperidin-1-yl)acetonitrile
CID 115313042
(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
1-(3-iodopropyl)-2,4-dimethylpiperazine
CID 126995640
2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile
CID 126990859
3-[4-(2-cyanoethyl)-3-methylpiperazin-1-yl]propanenitrile
CID 522976
9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol
CID 114086760
1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine
CID 131236986
3-[(2,4-dimethylpiperazin-1-yl)methyl]benzonitrile
CID 71877621
2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 170181617

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile?
The IUPAC name of 2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile (CID 142979155) is 2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile is C[C@H]1CN(C)CCN1CC#N.
What is the InChIKey of 2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile?
The InChIKey is DJGNIZLIZOPKPG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15N3/c1-8-7-10(2)5-6-11(8)4-3-9/h8H,4-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile?
2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile has a molecular weight of 153.23 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile is sourced from PubChem (CID 142979155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).