1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one

C13H22FNO — CID 174318469

IUPAC1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one
SMILESCCC1C[C@@H](F)C[C@H](N2CCCCC2=O)C1
InChIInChI=1S/C13H22FNO/c1-2-10-7-11(14)9-12(8-10)15-6-4-3-5-13(15)16/h10-12H,2-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyKWBXBXAIRXIBHY-PQDIPPBSSA-N
MW227.32 g/mol
LogP2.92
Rot. Bonds2

About 1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one

1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one (PubChem CID 174318469) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one
PubChem CID174318469
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one
SMILESCCC1C[C@@H](F)C[C@H](N2CCCCC2=O)C1
InChIInChI=1S/C13H22FNO/c1-2-10-7-11(14)9-12(8-10)15-6-4-3-5-13(15)16/h10-12H,2-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyKWBXBXAIRXIBHY-PQDIPPBSSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one?
The IUPAC name of 1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one (CID 174318469) is 1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one.
What is the SMILES notation for 1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one?
The canonical SMILES for 1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one is CCC1C[C@@H](F)C[C@H](N2CCCCC2=O)C1.
What is the InChIKey of 1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one?
The InChIKey is KWBXBXAIRXIBHY-PQDIPPBSSA-N. The full InChI is InChI=1S/C13H22FNO/c1-2-10-7-11(14)9-12(8-10)15-6-4-3-5-13(15)16/h10-12H,2-9H2,1H3/t10?,11-,12-/m1/s1.
What are the key properties of 1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one?
1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one has a molecular weight of 227.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one is sourced from PubChem (CID 174318469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).