5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol

C19H23FN2O2 — CID 42457494

IUPAC5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)cc1O
InChIInChI=1S/C19H23FN2O2/c1-24-19-8-7-14(10-18(19)23)12-22-9-3-6-17(13-22)21-16-5-2-4-15(20)11-16/h2,4-5,7-8,10-11,17,21,23H,3,6,9,12-13H2,1H3/t17-/m1/s1
InChIKeyCONJAXNQFKZCBF-QGZVFWFLSA-N
MW330.40 g/mol
LogP3.62
Rot. Bonds5

About 5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol

5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol (PubChem CID 42457494) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol
PubChem CID42457494
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)cc1O
InChIInChI=1S/C19H23FN2O2/c1-24-19-8-7-14(10-18(19)23)12-22-9-3-6-17(13-22)21-16-5-2-4-15(20)11-16/h2,4-5,7-8,10-11,17,21,23H,3,6,9,12-13H2,1H3/t17-/m1/s1
InChIKeyCONJAXNQFKZCBF-QGZVFWFLSA-N
XLogP3.62
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 25378499
(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
CID 25370484
[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 95725177
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine
CID 45242776
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 25448122
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methoxyphenol
CID 82982928
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
5-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenol
CID 82981011
N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45223319

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol (CID 42457494) is 5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol is COc1ccc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)cc1O.
What is the InChIKey of 5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol?
The InChIKey is CONJAXNQFKZCBF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-24-19-8-7-14(10-18(19)23)12-22-9-3-6-17(13-22)21-16-5-2-4-15(20)11-16/h2,4-5,7-8,10-11,17,21,23H,3,6,9,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol?
5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol has a molecular weight of 330.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 42457494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).