piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

C11H18F3N3O — CID 54936615

IUPACpiperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCNCC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)9-2-1-5-17(8-9)10(18)16-6-3-15-4-7-16/h9,15H,1-8H2
InChIKeyAVBMCBKFIOIYPD-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.29
Rot. Bonds

About piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 54936615) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID54936615
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Namepiperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCNCC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)9-2-1-5-17(8-9)10(18)16-6-3-15-4-7-16/h9,15H,1-8H2
InChIKeyAVBMCBKFIOIYPD-UHFFFAOYSA-N
XLogP1.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 54936615) is piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(N1CCNCC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is AVBMCBKFIOIYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)9-2-1-5-17(8-9)10(18)16-6-3-15-4-7-16/h9,15H,1-8H2.
What are the key properties of piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 265.28 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 54936615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).