(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone

C18H24FNO4 — CID 136532454

IUPAC(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1c(O)cccc1F)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C18H24FNO4/c19-15-5-3-6-16(21)17(15)18(22)20-9-7-13(8-10-20)24-12-14-4-1-2-11-23-14/h3,5-6,13-14,21H,1-2,4,7-12H2
InChIKeyMTEPHGNVKOSQLA-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.72
Rot. Bonds4

About (2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone

(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 136532454) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is (2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID136532454
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1c(O)cccc1F)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C18H24FNO4/c19-15-5-3-6-16(21)17(15)18(22)20-9-7-13(8-10-20)24-12-14-4-1-2-11-23-14/h3,5-6,13-14,21H,1-2,4,7-12H2
InChIKeyMTEPHGNVKOSQLA-UHFFFAOYSA-N
XLogP2.72
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016929
(2,6-difluorophenyl)-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]methanone
CID 95258451
(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 154794617
N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363
N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 109447570
N-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449159
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 121197502
(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 119341879
5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 154752669
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-fluoro-6-hydroxyphenyl)methanone
CID 104916531
[2-(morpholin-4-ylmethyl)phenyl]-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone
CID 99814762
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone (CID 136532454) is (2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone is O=C(c1c(O)cccc1F)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of (2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is MTEPHGNVKOSQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c19-15-5-3-6-16(21)17(15)18(22)20-9-7-13(8-10-20)24-12-14-4-1-2-11-23-14/h3,5-6,13-14,21H,1-2,4,7-12H2.
What are the key properties of (2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 337.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 136532454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).