piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone

C9H13F3N2O — CID 82509416

IUPACpiperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCNCC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(1-2-8)7(15)14-5-3-13-4-6-14/h13H,1-6H2
InChIKeyGRWMNBHJGCTYES-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.76
Rot. Bonds1

About piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone

piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 82509416) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID82509416
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Namepiperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCNCC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(1-2-8)7(15)14-5-3-13-4-6-14/h13H,1-6H2
InChIKeyGRWMNBHJGCTYES-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone (CID 82509416) is piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone is O=C(N1CCNCC1)C1(C(F)(F)F)CC1.
What is the InChIKey of piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is GRWMNBHJGCTYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)8(1-2-8)7(15)14-5-3-13-4-6-14/h13H,1-6H2.
What are the key properties of piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 222.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 82509416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).