2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile

C15H18F3N3 — CID 84751999

IUPAC2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile
SMILESCC(C#N)(Cc1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C15H18F3N3/c1-14(11-19,21-8-6-20-7-9-21)10-12-4-2-3-5-13(12)15(16,17)18/h2-5,20H,6-10H2,1H3
InChIKeyANZSIFAMTPHKFO-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile

2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile (PubChem CID 84751999) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile
PubChem CID84751999
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile
SMILESCC(C#N)(Cc1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C15H18F3N3/c1-14(11-19,21-8-6-20-7-9-21)10-12-4-2-3-5-13(12)15(16,17)18/h2-5,20H,6-10H2,1H3
InChIKeyANZSIFAMTPHKFO-UHFFFAOYSA-N
XLogP2.44
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile (CID 84751999) is 2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile is CC(C#N)(Cc1ccccc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile?
The InChIKey is ANZSIFAMTPHKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-14(11-19,21-8-6-20-7-9-21)10-12-4-2-3-5-13(12)15(16,17)18/h2-5,20H,6-10H2,1H3.
What are the key properties of 2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile?
2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile has a molecular weight of 297.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile is sourced from PubChem (CID 84751999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).