pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone

C18H18F3N3O — CID 56789032

IUPACpyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCN(C(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)16(14-6-2-1-3-7-14)23-10-12-24(13-11-23)17(25)15-8-4-5-9-22-15/h1-9,16H,10-13H2
InChIKeySNYYBLCZMADOQV-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.14
Rot. Bonds3

About pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone

pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone (PubChem CID 56789032) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone
PubChem CID56789032
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Namepyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCN(C(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)16(14-6-2-1-3-7-14)23-10-12-24(13-11-23)17(25)15-8-4-5-9-22-15/h1-9,16H,10-13H2
InChIKeySNYYBLCZMADOQV-UHFFFAOYSA-N
XLogP3.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone (CID 56789032) is pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone is O=C(c1ccccn1)N1CCN(C(c2ccccc2)C(F)(F)F)CC1.
What is the InChIKey of pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is SNYYBLCZMADOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-18(20,21)16(14-6-2-1-3-7-14)23-10-12-24(13-11-23)17(25)15-8-4-5-9-22-15/h1-9,16H,10-13H2.
What are the key properties of pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone?
pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 349.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56789032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).