2-(1-methylpiperazin-2-yl)acetonitrile

C7H13N3 — CID 14947197

IUPAC2-(1-methylpiperazin-2-yl)acetonitrile
SMILESCN1CCNCC1CC#N
InChIInChI=1S/C7H13N3/c1-10-5-4-9-6-7(10)2-3-8/h7,9H,2,4-6H2,1H3
InChIKeyHAUKEGDVSMNENU-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.20
Rot. Bonds1

About 2-(1-methylpiperazin-2-yl)acetonitrile

2-(1-methylpiperazin-2-yl)acetonitrile (PubChem CID 14947197) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(1-methylpiperazin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methylpiperazin-2-yl)acetonitrile
PubChem CID14947197
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-(1-methylpiperazin-2-yl)acetonitrile
SMILESCN1CCNCC1CC#N
InChIInChI=1S/C7H13N3/c1-10-5-4-9-6-7(10)2-3-8/h7,9H,2,4-6H2,1H3
InChIKeyHAUKEGDVSMNENU-UHFFFAOYSA-N
XLogP-0.20
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Piperazin-1-yl)propanenitrile
CID 2052050
Dimethylpiperazine
CID 198037
2-Ethylpiperazine
CID 14094188
3-Methyl-2-(piperazin-1-yl)butanenitrile
CID 16227099
1-(3-Cyanopropyl)piperazine
CID 2757977
1,3-Dimethylpiperazine
CID 13152035
(S)-1,3-Dimethylpiperazine
CID 13152036
3-Ethyl-1-methylpiperazine
CID 18464095
4-Methylpiperazine-2-carbonitrile
CID 21300030
(2R)-2-Ethyl-1-methyl-piperazine
CID 29892924
1-Cyclopropylpiperazine-2-carbonitrile
CID 54592898
1-Methylpiperazine-2-carbonitrile
CID 75356173

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperazin-2-yl)acetonitrile?
The IUPAC name of 2-(1-methylpiperazin-2-yl)acetonitrile (CID 14947197) is 2-(1-methylpiperazin-2-yl)acetonitrile.
What is the SMILES notation for 2-(1-methylpiperazin-2-yl)acetonitrile?
The canonical SMILES for 2-(1-methylpiperazin-2-yl)acetonitrile is CN1CCNCC1CC#N.
What is the InChIKey of 2-(1-methylpiperazin-2-yl)acetonitrile?
The InChIKey is HAUKEGDVSMNENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-10-5-4-9-6-7(10)2-3-8/h7,9H,2,4-6H2,1H3.
What are the key properties of 2-(1-methylpiperazin-2-yl)acetonitrile?
2-(1-methylpiperazin-2-yl)acetonitrile has a molecular weight of 139.20 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperazin-2-yl)acetonitrile is sourced from PubChem (CID 14947197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).