1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one

C14H25FN2O — CID 166706468

IUPAC1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one
SMILESCCC1CCN(CC2CCC(N)C(F)C2)CC1=O
InChIInChI=1S/C14H25FN2O/c1-2-11-5-6-17(9-14(11)18)8-10-3-4-13(16)12(15)7-10/h10-13H,2-9,16H2,1H3
InChIKeyXCLIOFRYBQTYGE-UHFFFAOYSA-N
MW256.36 g/mol
LogP1.75
Rot. Bonds3

About 1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one

1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one (PubChem CID 166706468) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is 1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one.

Molecular Properties

Compound Name1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one
PubChem CID166706468
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one
SMILESCCC1CCN(CC2CCC(N)C(F)C2)CC1=O
InChIInChI=1S/C14H25FN2O/c1-2-11-5-6-17(9-14(11)18)8-10-3-4-13(16)12(15)7-10/h10-13H,2-9,16H2,1H3
InChIKeyXCLIOFRYBQTYGE-UHFFFAOYSA-N
XLogP1.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one?
The IUPAC name of 1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one (CID 166706468) is 1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one.
What is the SMILES notation for 1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one?
The canonical SMILES for 1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one is CCC1CCN(CC2CCC(N)C(F)C2)CC1=O.
What is the InChIKey of 1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one?
The InChIKey is XCLIOFRYBQTYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-2-11-5-6-17(9-14(11)18)8-10-3-4-13(16)12(15)7-10/h10-13H,2-9,16H2,1H3.
What are the key properties of 1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one?
1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one has a molecular weight of 256.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3-fluorocyclohexyl)methyl]-4-ethylpiperidin-3-one is sourced from PubChem (CID 166706468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).