(4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone

C19H27FN2O3 — CID 139007228

IUPAC(4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
SMILESCCN1CCOCC1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O3/c1-2-21-10-11-25-14-17(21)18(23)22-8-6-19(24,7-9-22)13-15-4-3-5-16(20)12-15/h3-5,12,17,24H,2,6-11,13-14H2,1H3
InChIKeyJSEHPZIMDOQCJC-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.44
Rot. Bonds4

About (4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone

(4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone (PubChem CID 139007228) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is (4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
PubChem CID139007228
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name(4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
SMILESCCN1CCOCC1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O3/c1-2-21-10-11-25-14-17(21)18(23)22-8-6-19(24,7-9-22)13-15-4-3-5-16(20)12-15/h3-5,12,17,24H,2,6-11,13-14H2,1H3
InChIKeyJSEHPZIMDOQCJC-UHFFFAOYSA-N
XLogP1.44
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 139007230
4-[[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023830
6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
CID 160860615
(2,3-dimethylquinoxalin-6-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 139007249
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 139007233
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-[(2S,3R)-2-methyloxan-3-yl]methanone
CID 129480128
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129480129
(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide
CID 97099885
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone
CID 138993033
(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
CID 136539060
(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 125153431
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204

Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone (CID 139007228) is (4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone is CCN1CCOCC1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1.
What is the InChIKey of (4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is JSEHPZIMDOQCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-2-21-10-11-25-14-17(21)18(23)22-8-6-19(24,7-9-22)13-15-4-3-5-16(20)12-15/h3-5,12,17,24H,2,6-11,13-14H2,1H3.
What are the key properties of (4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone?
(4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 139007228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).