2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one

C22H24F3NO2 — CID 46086847

IUPAC2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H24F3NO2/c1-16(28-20-5-3-2-4-6-20)21(27)26-13-11-18(12-14-26)15-17-7-9-19(10-8-17)22(23,24)25/h2-10,16,18H,11-15H2,1H3
InChIKeyQGCJGOQSMHHJNZ-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.95
Rot. Bonds5

About 2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one

2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 46086847) has the molecular formula C22H24F3NO2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one
PubChem CID46086847
Molecular FormulaC22H24F3NO2
Molecular Weight391.43 g/mol
Exact Mass391.18
IUPAC Name2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H24F3NO2/c1-16(28-20-5-3-2-4-6-20)21(27)26-13-11-18(12-14-26)15-17-7-9-19(10-8-17)22(23,24)25/h2-10,16,18H,11-15H2,1H3
InChIKeyQGCJGOQSMHHJNZ-UHFFFAOYSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one (CID 46086847) is 2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one is CC(Oc1ccccc1)C(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is QGCJGOQSMHHJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO2/c1-16(28-20-5-3-2-4-6-20)21(27)26-13-11-18(12-14-26)15-17-7-9-19(10-8-17)22(23,24)25/h2-10,16,18H,11-15H2,1H3.
What are the key properties of 2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one?
2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 391.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 46086847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).