2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol

C19H23FN2O2 — CID 25448122

IUPAC2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H23FN2O2/c1-24-18-8-9-19(23)14(11-18)12-22-10-2-3-17(13-22)21-16-6-4-15(20)5-7-16/h4-9,11,17,21,23H,2-3,10,12-13H2,1H3/t17-/m1/s1
InChIKeyAUSRCOPVDSESEL-QGZVFWFLSA-N
MW330.40 g/mol
LogP3.62
Rot. Bonds5

About 2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol

2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol (PubChem CID 25448122) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
PubChem CID25448122
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H23FN2O2/c1-24-18-8-9-19(23)14(11-18)12-22-10-2-3-17(13-22)21-16-6-4-15(20)5-7-16/h4-9,11,17,21,23H,2-3,10,12-13H2,1H3/t17-/m1/s1
InChIKeyAUSRCOPVDSESEL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-4-[[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methyl]phenol
CID 29180657
4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol
CID 104869408
4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 61205073
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 82983035
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 82980053
2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 26335964
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine
CID 45242776
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol
CID 42482527
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 172891896
5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 42457494

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol (CID 25448122) is 2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol is COc1ccc(O)c(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)c1.
What is the InChIKey of 2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol?
The InChIKey is AUSRCOPVDSESEL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-24-18-8-9-19(23)14(11-18)12-22-10-2-3-17(13-22)21-16-6-4-15(20)5-7-16/h4-9,11,17,21,23H,2-3,10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol?
2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-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 2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol is sourced from PubChem (CID 25448122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).