2-[4-(aminomethyl)piperazin-1-yl]acetonitrile

C7H14N4 — CID 155330368

IUPAC2-[4-(aminomethyl)piperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(CN)CC1
InChIInChI=1S/C7H14N4/c8-1-2-10-3-5-11(7-9)6-4-10/h2-7,9H2
InChIKeyORLGXWSZINCCTK-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.96
Rot. Bonds2

About 2-[4-(aminomethyl)piperazin-1-yl]acetonitrile

2-[4-(aminomethyl)piperazin-1-yl]acetonitrile (PubChem CID 155330368) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperazin-1-yl]acetonitrile
PubChem CID155330368
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-[4-(aminomethyl)piperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(CN)CC1
InChIInChI=1S/C7H14N4/c8-1-2-10-3-5-11(7-9)6-4-10/h2-7,9H2
InChIKeyORLGXWSZINCCTK-UHFFFAOYSA-N
XLogP-0.96
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(aminomethyl)piperazin-1-yl]acetonitrile (CID 155330368) is 2-[4-(aminomethyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(aminomethyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(aminomethyl)piperazin-1-yl]acetonitrile is N#CCN1CCN(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperazin-1-yl]acetonitrile?
The InChIKey is ORLGXWSZINCCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c8-1-2-10-3-5-11(7-9)6-4-10/h2-7,9H2.
What are the key properties of 2-[4-(aminomethyl)piperazin-1-yl]acetonitrile?
2-[4-(aminomethyl)piperazin-1-yl]acetonitrile has a molecular weight of 154.22 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 155330368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).