2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol

C20H25FN2O2 — CID 26335964

IUPAC2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CN1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN2O2/c21-17-7-9-18(10-8-17)22-19-5-3-11-23(15-19)14-16-4-1-2-6-20(16)25-13-12-24/h1-2,4,6-10,19,22,24H,3,5,11-15H2/t19-/m0/s1
InChIKeyMSCYHVWPIXHPBB-IBGZPJMESA-N
MW344.43 g/mol
LogP3.27
Rot. Bonds7

About 2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol

2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 26335964) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID26335964
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CN1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN2O2/c21-17-7-9-18(10-8-17)22-19-5-3-11-23(15-19)14-16-4-1-2-6-20(16)25-13-12-24/h1-2,4,6-10,19,22,24H,3,5,11-15H2/t19-/m0/s1
InChIKeyMSCYHVWPIXHPBB-IBGZPJMESA-N
XLogP3.27
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 42213563
2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 25448122
2-[2-[(4-aminoazepan-1-yl)methyl]phenoxy]ethanol;dihydrochloride
CID 154900743
(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155911283
2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol
CID 45209442
2-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 45241710
(3S,4R)-4-(4-fluorophenyl)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 70764719
N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45227733
(3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine
CID 25382358
1-(azepan-1-yl)-2-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 95707310
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine
CID 45242776
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol (CID 26335964) is 2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol is OCCOc1ccccc1CN1CCC[C@H](Nc2ccc(F)cc2)C1.
What is the InChIKey of 2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is MSCYHVWPIXHPBB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25FN2O2/c21-17-7-9-18(10-8-17)22-19-5-3-11-23(15-19)14-16-4-1-2-6-20(16)25-13-12-24/h1-2,4,6-10,19,22,24H,3,5,11-15H2/t19-/m0/s1.
What are the key properties of 2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol?
2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 344.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 26335964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).