2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one

C16H22FNO3 — CID 78934249

IUPAC2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1cc(F)ccc1[C@@H](C)O)C(=O)N1CCCCC1
InChIInChI=1S/C16H22FNO3/c1-11(19)14-7-6-13(17)10-15(14)21-12(2)16(20)18-8-4-3-5-9-18/h6-7,10-12,19H,3-5,8-9H2,1-2H3/t11-,12?/m1/s1
InChIKeyQZXSCPDAYOCOEY-JHJMLUEUSA-N
MW295.35 g/mol
LogP2.66
Rot. Bonds4

About 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one

2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one (PubChem CID 78934249) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
PubChem CID78934249
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1cc(F)ccc1[C@@H](C)O)C(=O)N1CCCCC1
InChIInChI=1S/C16H22FNO3/c1-11(19)14-7-6-13(17)10-15(14)21-12(2)16(20)18-8-4-3-5-9-18/h6-7,10-12,19H,3-5,8-9H2,1-2H3/t11-,12?/m1/s1
InChIKeyQZXSCPDAYOCOEY-JHJMLUEUSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 63067677
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78931197
1-(azepan-1-yl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-1-one
CID 63364988
2-[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 102949129
1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 107720649
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63366141
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 78947051
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)propan-1-one
CID 115918466
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one (CID 78934249) is 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one is CC(Oc1cc(F)ccc1[C@@H](C)O)C(=O)N1CCCCC1.
What is the InChIKey of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one?
The InChIKey is QZXSCPDAYOCOEY-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-11(19)14-7-6-13(17)10-15(14)21-12(2)16(20)18-8-4-3-5-9-18/h6-7,10-12,19H,3-5,8-9H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one?
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one has a molecular weight of 295.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 78934249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).