1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one

C16H22FNO2 — CID 106587711

IUPAC1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCCN(C(C)C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO2/c1-12(16(19)14-5-7-15(17)8-6-14)18-9-3-4-13(10-18)11-20-2/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyCKWBQMNGSDPUCP-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.76
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one

1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 106587711) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID106587711
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCCN(C(C)C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO2/c1-12(16(19)14-5-7-15(17)8-6-14)18-9-3-4-13(10-18)11-20-2/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyCKWBQMNGSDPUCP-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 107228031
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 62029422
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
CID 106587759
1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228009
2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 110184706
2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
CID 62036312
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681
2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62068455
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one (CID 106587711) is 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one is COCC1CCCN(C(C)C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is CKWBQMNGSDPUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(16(19)14-5-7-15(17)8-6-14)18-9-3-4-13(10-18)11-20-2/h5-8,12-13H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 279.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 106587711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).