2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile

C11H21N3 — CID 87226189

IUPAC2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile
SMILESCC(C)(C)CN1CCN(CC#N)CC1
InChIInChI=1S/C11H21N3/c1-11(2,3)10-14-8-6-13(5-4-12)7-9-14/h5-10H2,1-3H3
InChIKeyGALGLUIQAZNEDB-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.17
Rot. Bonds2

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

2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile (PubChem CID 87226189) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile
PubChem CID87226189
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile
SMILESCC(C)(C)CN1CCN(CC#N)CC1
InChIInChI=1S/C11H21N3/c1-11(2,3)10-14-8-6-13(5-4-12)7-9-14/h5-10H2,1-3H3
InChIKeyGALGLUIQAZNEDB-UHFFFAOYSA-N
XLogP1.17
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile (CID 87226189) is 2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile is CC(C)(C)CN1CCN(CC#N)CC1.
What is the InChIKey of 2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile?
The InChIKey is GALGLUIQAZNEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,3)10-14-8-6-13(5-4-12)7-9-14/h5-10H2,1-3H3.
What are the key properties of 2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile?
2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile has a molecular weight of 195.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 87226189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).