2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one

C16H22FNO3 — CID 43403393

IUPAC2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C16H22FNO3/c1-16(2,21-14-7-5-13(17)6-8-14)15(20)18-9-3-4-12(10-18)11-19/h5-8,12,19H,3-4,9-11H2,1-2H3
InChIKeyUANCRGVXVHBZCD-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.21
Rot. Bonds4

About 2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one

2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 43403393) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID43403393
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C16H22FNO3/c1-16(2,21-14-7-5-13(17)6-8-14)15(20)18-9-3-4-12(10-18)11-19/h5-8,12,19H,3-4,9-11H2,1-2H3
InChIKeyUANCRGVXVHBZCD-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 60956642
2-(4-fluorophenoxy)-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120997590
methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
CID 86977288
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
CID 124988391
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-(4-fluorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371982
methyl 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-3-carboxylate
CID 108754829
N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide
CID 86911809
2,2,3,3,3-pentafluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 114037853
4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-2-one
CID 60656740
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
CID 112836380
methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate
CID 78901290

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one (CID 43403393) is 2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)(Oc1ccc(F)cc1)C(=O)N1CCCC(CO)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is UANCRGVXVHBZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-16(2,21-14-7-5-13(17)6-8-14)15(20)18-9-3-4-12(10-18)11-19/h5-8,12,19H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 295.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 43403393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).