3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one

C14H18FNO3 — CID 93041279

IUPAC3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCC[C@H](O)C1
InChIInChI=1S/C14H18FNO3/c15-11-3-1-5-13(9-11)19-8-6-14(18)16-7-2-4-12(17)10-16/h1,3,5,9,12,17H,2,4,6-8,10H2/t12-/m0/s1
InChIKeyXNMNFWQQELOJKT-LBPRGKRZSA-N
MW267.30 g/mol
LogP1.58
Rot. Bonds4

About 3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one

3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one (PubChem CID 93041279) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
PubChem CID93041279
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCC[C@H](O)C1
InChIInChI=1S/C14H18FNO3/c15-11-3-1-5-13(9-11)19-8-6-14(18)16-7-2-4-12(17)10-16/h1,3,5,9,12,17H,2,4,6-8,10H2/t12-/m0/s1
InChIKeyXNMNFWQQELOJKT-LBPRGKRZSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
3-(3,4-dichlorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107224162
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95293526
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107211694
(2S)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153262
(2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000573
3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 61090343
(2R)-1-acetyl-4-[3-(3-fluorophenoxy)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124943012
4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one
CID 95340546
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95163577

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one (CID 93041279) is 3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one is O=C(CCOc1cccc(F)c1)N1CCC[C@H](O)C1.
What is the InChIKey of 3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The InChIKey is XNMNFWQQELOJKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-11-3-1-5-13(9-11)19-8-6-14(18)16-7-2-4-12(17)10-16/h1,3,5,9,12,17H,2,4,6-8,10H2/t12-/m0/s1.
What are the key properties of 3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one has a molecular weight of 267.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 93041279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).