(4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone

C22H23F4NO2 — CID 91362838

IUPAC(4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone
SMILESCOC(CN1CCCCC1C(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23F4NO2/c1-29-20(15-5-9-17(10-6-15)22(24,25)26)14-27-13-3-2-4-19(27)21(28)16-7-11-18(23)12-8-16/h5-12,19-20H,2-4,13-14H2,1H3
InChIKeyDJHLHXDOWUPAGK-UHFFFAOYSA-N
MW409.42 g/mol
LogP5.27
Rot. Bonds6

About (4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone

(4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone (PubChem CID 91362838) has the molecular formula C22H23F4NO2 and a molecular weight of 409.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone
PubChem CID91362838
Molecular FormulaC22H23F4NO2
Molecular Weight409.42 g/mol
Exact Mass409.17
IUPAC Name(4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone
SMILESCOC(CN1CCCCC1C(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23F4NO2/c1-29-20(15-5-9-17(10-6-15)22(24,25)26)14-27-13-3-2-4-19(27)21(28)16-7-11-18(23)12-8-16/h5-12,19-20H,2-4,13-14H2,1H3
InChIKeyDJHLHXDOWUPAGK-UHFFFAOYSA-N
XLogP5.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.42
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone (CID 91362838) is (4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone is COC(CN1CCCCC1C(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone?
The InChIKey is DJHLHXDOWUPAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4NO2/c1-29-20(15-5-9-17(10-6-15)22(24,25)26)14-27-13-3-2-4-19(27)21(28)16-7-11-18(23)12-8-16/h5-12,19-20H,2-4,13-14H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone?
(4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone has a molecular weight of 409.42 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone is sourced from PubChem (CID 91362838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).