1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone

C15H20FNO2 — CID 63845792

IUPAC1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
SMILESCOc1ccc(CN2CCCC(C(C)=O)C2)cc1F
InChIInChI=1S/C15H20FNO2/c1-11(18)13-4-3-7-17(10-13)9-12-5-6-15(19-2)14(16)8-12/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyXERFFQLWEFJKPC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone

1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone (PubChem CID 63845792) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
PubChem CID63845792
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
SMILESCOc1ccc(CN2CCCC(C(C)=O)C2)cc1F
InChIInChI=1S/C15H20FNO2/c1-11(18)13-4-3-7-17(10-13)9-12-5-6-15(19-2)14(16)8-12/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyXERFFQLWEFJKPC-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone 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

1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
(3-fluoro-4-methoxyphenyl)-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 25376846
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 26400044
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone (CID 63845792) is 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone is COc1ccc(CN2CCCC(C(C)=O)C2)cc1F.
What is the InChIKey of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone?
The InChIKey is XERFFQLWEFJKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11(18)13-4-3-7-17(10-13)9-12-5-6-15(19-2)14(16)8-12/h5-6,8,13H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone?
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone has a molecular weight of 265.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 63845792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).