(2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone

C19H21FN2O3 — CID 100616310

IUPAC(2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone
SMILESCOc1cccc(NC2CCN(C(=O)c3c(O)cccc3F)CC2)c1
InChIInChI=1S/C19H21FN2O3/c1-25-15-5-2-4-14(12-15)21-13-8-10-22(11-9-13)19(24)18-16(20)6-3-7-17(18)23/h2-7,12-13,21,23H,8-11H2,1H3
InChIKeyFOXOPUVTOKCGFD-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.26
Rot. Bonds4

About (2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone

(2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone (PubChem CID 100616310) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone
PubChem CID100616310
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone
SMILESCOc1cccc(NC2CCN(C(=O)c3c(O)cccc3F)CC2)c1
InChIInChI=1S/C19H21FN2O3/c1-25-15-5-2-4-14(12-15)21-13-8-10-22(11-9-13)19(24)18-16(20)6-3-7-17(18)23/h2-7,12-13,21,23H,8-11H2,1H3
InChIKeyFOXOPUVTOKCGFD-UHFFFAOYSA-N
XLogP3.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
CID 3570393
tert-butyl 4-(3-methoxyanilino)azepane-1-carboxylate
CID 103980589
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80662755
4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide
CID 43783712
N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine
CID 133372597
1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
[4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016929
(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107427

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone (CID 100616310) is (2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone is COc1cccc(NC2CCN(C(=O)c3c(O)cccc3F)CC2)c1.
What is the InChIKey of (2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone?
The InChIKey is FOXOPUVTOKCGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-25-15-5-2-4-14(12-15)21-13-8-10-22(11-9-13)19(24)18-16(20)6-3-7-17(18)23/h2-7,12-13,21,23H,8-11H2,1H3.
What are the key properties of (2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone?
(2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone has a molecular weight of 344.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 100616310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).