(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one

C18H16F3NO — CID 3065197

IUPAC(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one
SMILESO=C1NCC[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)14-8-6-12(7-9-14)15-10-11-22-17(23)16(15)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,22,23)/t15-,16-/m1/s1
InChIKeyKIRNHVYOKKYVNG-HZPDHXFCSA-N
MW319.33 g/mol
LogP4.09
Rot. Bonds2

About (3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one

(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 3065197) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is (3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID3065197
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one
SMILESO=C1NCC[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)14-8-6-12(7-9-14)15-10-11-22-17(23)16(15)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,22,23)/t15-,16-/m1/s1
InChIKeyKIRNHVYOKKYVNG-HZPDHXFCSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of (3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one (CID 3065197) is (3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for (3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for (3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one is O=C1NCC[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is KIRNHVYOKKYVNG-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H16F3NO/c19-18(20,21)14-8-6-12(7-9-14)15-10-11-22-17(23)16(15)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,22,23)/t15-,16-/m1/s1.
What are the key properties of (3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one?
(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 319.33 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 3065197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).