[(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone

C12H19F3N2O — CID 156695491

IUPAC[(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESCC[C@@H]1CN(C(=O)C2(C(F)(F)F)CCC2)CCN1
InChIInChI=1S/C12H19F3N2O/c1-2-9-8-17(7-6-16-9)10(18)11(4-3-5-11)12(13,14)15/h9,16H,2-8H2,1H3/t9-/m1/s1
InChIKeyJMXYGBUCYQZIOP-SECBINFHSA-N
MW264.29 g/mol
LogP1.93
Rot. Bonds2

About [(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone

[(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone (PubChem CID 156695491) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is [(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
PubChem CID156695491
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name[(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESCC[C@@H]1CN(C(=O)C2(C(F)(F)F)CCC2)CCN1
InChIInChI=1S/C12H19F3N2O/c1-2-9-8-17(7-6-16-9)10(18)11(4-3-5-11)12(13,14)15/h9,16H,2-8H2,1H3/t9-/m1/s1
InChIKeyJMXYGBUCYQZIOP-SECBINFHSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The IUPAC name of [(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone (CID 156695491) is [(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone.
What is the SMILES notation for [(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The canonical SMILES for [(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone is CC[C@@H]1CN(C(=O)C2(C(F)(F)F)CCC2)CCN1.
What is the InChIKey of [(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The InChIKey is JMXYGBUCYQZIOP-SECBINFHSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-2-9-8-17(7-6-16-9)10(18)11(4-3-5-11)12(13,14)15/h9,16H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
[(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone has a molecular weight of 264.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-ethylpiperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone is sourced from PubChem (CID 156695491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).