[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone

C18H19FN2O3 — CID 110145957

IUPAC[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone
SMILESC[C@]1(O)CCN(C(=O)c2ccncc2)C[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C18H19FN2O3/c1-18(23)7-10-21(17(22)13-5-8-20-9-6-13)12-16(18)24-15-4-2-3-14(19)11-15/h2-6,8-9,11,16,23H,7,10,12H2,1H3/t16-,18-/m0/s1
InChIKeyTVQOMPUDILUJIU-WMZOPIPTSA-N
MW330.36 g/mol
LogP2.27
Rot. Bonds3

About [(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone

[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110145957) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is [(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID110145957
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone
SMILESC[C@]1(O)CCN(C(=O)c2ccncc2)C[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C18H19FN2O3/c1-18(23)7-10-21(17(22)13-5-8-20-9-6-13)12-16(18)24-15-4-2-3-14(19)11-15/h2-6,8-9,11,16,23H,7,10,12H2,1H3/t16-,18-/m0/s1
InChIKeyTVQOMPUDILUJIU-WMZOPIPTSA-N
XLogP2.27
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridazin-3-ylmethanone
CID 110146596
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110146810
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 110159437
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110159351
2-amino-1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]ethanone
CID 110146277
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110146710
4-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 110145954
[(3S,4S)-4-(3-fluorophenoxy)-3-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 110146814
[(3S,4S)-3-(4-chlorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(3-chlorophenyl)methanone
CID 110154817
[(3R,4R)-4-hydroxy-4-methyl-3-phenoxypiperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 110158931
[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-pentylpiperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110154719
(3S,4S)-3-(3-fluorophenoxy)-4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol
CID 110145924

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone (CID 110145957) is [(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone is C[C@]1(O)CCN(C(=O)c2ccncc2)C[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of [(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is TVQOMPUDILUJIU-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(23)7-10-21(17(22)13-5-8-20-9-6-13)12-16(18)24-15-4-2-3-14(19)11-15/h2-6,8-9,11,16,23H,7,10,12H2,1H3/t16-,18-/m0/s1.
What are the key properties of [(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone?
[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 330.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110145957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).