2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile

C9H16N4O — CID 164904599

IUPAC2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile
SMILESCN1CCN(C(=O)CN)C(CC#N)C1
InChIInChI=1S/C9H16N4O/c1-12-4-5-13(9(14)6-11)8(7-12)2-3-10/h8H,2,4-7,11H2,1H3
InChIKeyCMRZHZXWDYFMQD-UHFFFAOYSA-N
MW196.25 g/mol
LogP-1.00
Rot. Bonds2

About 2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile

2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile (PubChem CID 164904599) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile
PubChem CID164904599
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile
SMILESCN1CCN(C(=O)CN)C(CC#N)C1
InChIInChI=1S/C9H16N4O/c1-12-4-5-13(9(14)6-11)8(7-12)2-3-10/h8H,2,4-7,11H2,1H3
InChIKeyCMRZHZXWDYFMQD-UHFFFAOYSA-N
XLogP-1.00
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-acetyl-4-methylpiperazin-2-yl)acetonitrile
CID 167064980
2-[1-(2-fluoroprop-2-enoyl)-4-methylpiperazin-2-yl]acetonitrile
CID 162736705
2-[(2S)-1-[(E)-4-fluorobut-2-enoyl]-4-methylpiperazin-2-yl]acetonitrile
CID 167122793
2-[4-methyl-1-(2-oxobut-3-enyl)piperazin-2-yl]acetonitrile
CID 162736652
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone
CID 178160134
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(thian-4-yl)ethanone
CID 83137766
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 80505095
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351
3-[2-(cyanomethyl)-4-methylpiperazin-1-yl]-6-azabicyclo[3.1.1]heptane-6-carbonitrile;ethane
CID 164922125
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile?
The IUPAC name of 2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile (CID 164904599) is 2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile is CN1CCN(C(=O)CN)C(CC#N)C1.
What is the InChIKey of 2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile?
The InChIKey is CMRZHZXWDYFMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12-4-5-13(9(14)6-11)8(7-12)2-3-10/h8H,2,4-7,11H2,1H3.
What are the key properties of 2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile?
2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile has a molecular weight of 196.25 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoacetyl)-4-methylpiperazin-2-yl]acetonitrile is sourced from PubChem (CID 164904599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).