[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone

C18H17F2NO3 — CID 95623125

IUPAC[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC[C@@H](O)C1
InChIInChI=1S/C18H17F2NO3/c19-13-5-8-17(16(20)10-13)24-15-6-3-12(4-7-15)18(23)21-9-1-2-14(22)11-21/h3-8,10,14,22H,1-2,9,11H2/t14-/m1/s1
InChIKeyXIXUMFKIGGSHOZ-CQSZACIVSA-N
MW333.33 g/mol
LogP3.35
Rot. Bonds3

About [4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone

[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 95623125) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is [4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
PubChem CID95623125
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC[C@@H](O)C1
InChIInChI=1S/C18H17F2NO3/c19-13-5-8-17(16(20)10-13)24-15-6-3-12(4-7-15)18(23)21-9-1-2-14(22)11-21/h3-8,10,14,22H,1-2,9,11H2/t14-/m1/s1
InChIKeyXIXUMFKIGGSHOZ-CQSZACIVSA-N
XLogP3.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone 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

[4-(2,4-difluorophenoxy)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119577253
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(2,4-difluorophenoxy)phenyl]methanone
CID 120659467
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
[4-(2,4-difluorophenoxy)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649389
[4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645123
(3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 111332849
N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 110929977
[4-(4-chlorophenoxy)-3-fluorophenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492276
[(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone
CID 99807203
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone (CID 95623125) is [4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone is O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC[C@@H](O)C1.
What is the InChIKey of [4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is XIXUMFKIGGSHOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17F2NO3/c19-13-5-8-17(16(20)10-13)24-15-6-3-12(4-7-15)18(23)21-9-1-2-14(22)11-21/h3-8,10,14,22H,1-2,9,11H2/t14-/m1/s1.
What are the key properties of [4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone?
[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 333.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 95623125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).