1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one

C16H22FNO4 — CID 155990558

IUPAC1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC(O)(COc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO4/c1-21-10-7-15(19)18-9-2-8-16(20,11-18)12-22-14-5-3-13(17)4-6-14/h3-6,20H,2,7-12H2,1H3
InChIKeyHKGHUFLMNBLERE-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.59
Rot. Bonds6

About 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one

1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 155990558) has the molecular formula C16H22FNO4 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one
PubChem CID155990558
Molecular FormulaC16H22FNO4
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC(O)(COc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO4/c1-21-10-7-15(19)18-9-2-8-16(20,11-18)12-22-14-5-3-13(17)4-6-14/h3-6,20H,2,7-12H2,1H3
InChIKeyHKGHUFLMNBLERE-UHFFFAOYSA-N
XLogP1.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 155991731
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 155991746
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 155990946
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 155991075
(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 155990942
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 132649278
1-[3-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 155991024
2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride
CID 171687664
N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155990783
2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
CID 110080337
1-[3-hydroxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 132765130
(2,5-difluorophenyl)-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]methanone
CID 155991224

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one (CID 155990558) is 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCCC(O)(COc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is HKGHUFLMNBLERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4/c1-21-10-7-15(19)18-9-2-8-16(20,11-18)12-22-14-5-3-13(17)4-6-14/h3-6,20H,2,7-12H2,1H3.
What are the key properties of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one?
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 311.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 155990558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).