1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one

C16H22FNO2 — CID 107393650

IUPAC1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one
SMILESCOC1(C)CCCN(CC(=O)Cc2ccccc2F)C1
InChIInChI=1S/C16H22FNO2/c1-16(20-2)8-5-9-18(12-16)11-14(19)10-13-6-3-4-7-15(13)17/h3-4,6-7H,5,8-12H2,1-2H3
InChIKeyUQJYRWSOCBCKHG-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one

1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one (PubChem CID 107393650) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one
PubChem CID107393650
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one
SMILESCOC1(C)CCCN(CC(=O)Cc2ccccc2F)C1
InChIInChI=1S/C16H22FNO2/c1-16(20-2)8-5-9-18(12-16)11-14(19)10-13-6-3-4-7-15(13)17/h3-4,6-7H,5,8-12H2,1-2H3
InChIKeyUQJYRWSOCBCKHG-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-one
CID 102744775
1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393674
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 106836569
1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393620
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 107393386
3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390766
[3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 107394509
1-[3-(2-fluorophenyl)-2-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103196911
1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
CID 62016943
1-(2-fluorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-2-one
CID 114538567

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one (CID 107393650) is 1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one is COC1(C)CCCN(CC(=O)Cc2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one?
The InChIKey is UQJYRWSOCBCKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-16(20-2)8-5-9-18(12-16)11-14(19)10-13-6-3-4-7-15(13)17/h3-4,6-7H,5,8-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one?
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one has a molecular weight of 279.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one is sourced from PubChem (CID 107393650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).