2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

C20H20F3NO — CID 58315766

IUPAC2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc([C@@H]2CCCNC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO/c21-20(22,23)18-5-1-3-16(12-18)19(25)11-14-6-8-15(9-7-14)17-4-2-10-24-13-17/h1,3,5-9,12,17,24H,2,4,10-11,13H2/t17-/m1/s1
InChIKeyBGWZJQOLAAFGQX-QGZVFWFLSA-N
MW347.38 g/mol
LogP4.60
Rot. Bonds4

About 2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 58315766) has the molecular formula C20H20F3NO and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID58315766
Molecular FormulaC20H20F3NO
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc([C@@H]2CCCNC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO/c21-20(22,23)18-5-1-3-16(12-18)19(25)11-14-6-8-15(9-7-14)17-4-2-10-24-13-17/h1,3,5-9,12,17,24H,2,4,10-11,13H2/t17-/m1/s1
InChIKeyBGWZJQOLAAFGQX-QGZVFWFLSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (CID 58315766) is 2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc([C@@H]2CCCNC2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is BGWZJQOLAAFGQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20F3NO/c21-20(22,23)18-5-1-3-16(12-18)19(25)11-14-6-8-15(9-7-14)17-4-2-10-24-13-17/h1,3,5-9,12,17,24H,2,4,10-11,13H2/t17-/m1/s1.
What are the key properties of 2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 347.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-piperidin-3-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 58315766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).