1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone

C21H21F4NO — CID 10429790

IUPAC1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H21F4NO/c22-19-7-3-17(4-8-19)20(27)13-15-9-11-26(12-10-15)14-16-1-5-18(6-2-16)21(23,24)25/h1-8,15H,9-14H2
InChIKeyAUNWVXAXWYVOSS-UHFFFAOYSA-N
MW379.40 g/mol
LogP5.33
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone

1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone (PubChem CID 10429790) has the molecular formula C21H21F4NO and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone
PubChem CID10429790
Molecular FormulaC21H21F4NO
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H21F4NO/c22-19-7-3-17(4-8-19)20(27)13-15-9-11-26(12-10-15)14-16-1-5-18(6-2-16)21(23,24)25/h1-8,15H,9-14H2
InChIKeyAUNWVXAXWYVOSS-UHFFFAOYSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.40
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone (CID 10429790) is 1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone is O=C(CC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone?
The InChIKey is AUNWVXAXWYVOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4NO/c22-19-7-3-17(4-8-19)20(27)13-15-9-11-26(12-10-15)14-16-1-5-18(6-2-16)21(23,24)25/h1-8,15H,9-14H2.
What are the key properties of 1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone?
1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone has a molecular weight of 379.40 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 10429790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).