2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile

C11H11F3N4 — CID 175475719

IUPAC2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cnc1N1CCNCC1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)9-5-8(6-15)10(17-7-9)18-3-1-16-2-4-18/h5,7,16H,1-4H2
InChIKeyBQDHAGZDSNAXLO-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.38
Rot. Bonds1

About 2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile

2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 175475719) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID175475719
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cnc1N1CCNCC1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)9-5-8(6-15)10(17-7-9)18-3-1-16-2-4-18/h5,7,16H,1-4H2
InChIKeyBQDHAGZDSNAXLO-UHFFFAOYSA-N
XLogP1.38
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile (CID 175475719) is 2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cc(C(F)(F)F)cnc1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BQDHAGZDSNAXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)9-5-8(6-15)10(17-7-9)18-3-1-16-2-4-18/h5,7,16H,1-4H2.
What are the key properties of 2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile?
2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 256.23 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 175475719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).