(3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one

C13H16FNO — CID 138970442

IUPAC(3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one
SMILESCC1(C)C[C@@H](F)C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C13H16FNO/c1-13(2)8-10(14)12(16)15-11(13)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyHGIMOFHPJNGWJC-GHMZBOCLSA-N
MW221.28 g/mol
LogP2.61
Rot. Bonds1

About (3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one

(3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one (PubChem CID 138970442) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one
PubChem CID138970442
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one
SMILESCC1(C)C[C@@H](F)C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C13H16FNO/c1-13(2)8-10(14)12(16)15-11(13)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyHGIMOFHPJNGWJC-GHMZBOCLSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one?
The IUPAC name of (3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one (CID 138970442) is (3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one.
What is the SMILES notation for (3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one?
The canonical SMILES for (3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one is CC1(C)C[C@@H](F)C(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one?
The InChIKey is HGIMOFHPJNGWJC-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H16FNO/c1-13(2)8-10(14)12(16)15-11(13)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3,(H,15,16)/t10-,11-/m1/s1.
What are the key properties of (3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one?
(3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one has a molecular weight of 221.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-fluoro-5,5-dimethyl-6-phenylpiperidin-2-one is sourced from PubChem (CID 138970442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).