(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one

C13H18FNO — CID 70852566

IUPAC(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one
SMILESC[C@H]1CCC(=O)N(C)C1[C@H]1C=CC(F)=CC1
InChIInChI=1S/C13H18FNO/c1-9-3-8-12(16)15(2)13(9)10-4-6-11(14)7-5-10/h4,6-7,9-10,13H,3,5,8H2,1-2H3/t9-,10-,13?/m0/s1
InChIKeyHJJWFHDGDYJJIR-UCBNGSGESA-N
MW223.29 g/mol
LogP2.67
Rot. Bonds1

About (5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one

(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one (PubChem CID 70852566) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one
PubChem CID70852566
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one
SMILESC[C@H]1CCC(=O)N(C)C1[C@H]1C=CC(F)=CC1
InChIInChI=1S/C13H18FNO/c1-9-3-8-12(16)15(2)13(9)10-4-6-11(14)7-5-10/h4,6-7,9-10,13H,3,5,8H2,1-2H3/t9-,10-,13?/m0/s1
InChIKeyHJJWFHDGDYJJIR-UCBNGSGESA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one?
The IUPAC name of (5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one (CID 70852566) is (5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one.
What is the SMILES notation for (5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one?
The canonical SMILES for (5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one is C[C@H]1CCC(=O)N(C)C1[C@H]1C=CC(F)=CC1.
What is the InChIKey of (5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one?
The InChIKey is HJJWFHDGDYJJIR-UCBNGSGESA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-3-8-12(16)15(2)13(9)10-4-6-11(14)7-5-10/h4,6-7,9-10,13H,3,5,8H2,1-2H3/t9-,10-,13?/m0/s1.
What are the key properties of (5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one?
(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one has a molecular weight of 223.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one is sourced from PubChem (CID 70852566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).