2-(1,4-dimethylpiperazin-2-yl)acetonitrile

C8H15N3 — CID 71756503

IUPAC2-(1,4-dimethylpiperazin-2-yl)acetonitrile
SMILESCN1CCN(C)C(CC#N)C1
InChIInChI=1S/C8H15N3/c1-10-5-6-11(2)8(7-10)3-4-9/h8H,3,5-7H2,1-2H3
InChIKeyRCNVUOMIKSCKCH-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.15
Rot. Bonds1

About 2-(1,4-dimethylpiperazin-2-yl)acetonitrile

2-(1,4-dimethylpiperazin-2-yl)acetonitrile (PubChem CID 71756503) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)acetonitrile
PubChem CID71756503
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)acetonitrile
SMILESCN1CCN(C)C(CC#N)C1
InChIInChI=1S/C8H15N3/c1-10-5-6-11(2)8(7-10)3-4-9/h8H,3,5-7H2,1-2H3
InChIKeyRCNVUOMIKSCKCH-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)acetonitrile?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)acetonitrile (CID 71756503) is 2-(1,4-dimethylpiperazin-2-yl)acetonitrile.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)acetonitrile?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)acetonitrile is CN1CCN(C)C(CC#N)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)acetonitrile?
The InChIKey is RCNVUOMIKSCKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-10-5-6-11(2)8(7-10)3-4-9/h8H,3,5-7H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)acetonitrile?
2-(1,4-dimethylpiperazin-2-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-(1,4-dimethylpiperazin-2-yl)acetonitrile is sourced from PubChem (CID 71756503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).