1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one

C16H22FNO3 — CID 116572161

IUPAC1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one
SMILESCOc1ccc(CC(=O)CCOC2CCNCC2)cc1F
InChIInChI=1S/C16H22FNO3/c1-20-16-3-2-12(11-15(16)17)10-13(19)6-9-21-14-4-7-18-8-5-14/h2-3,11,14,18H,4-10H2,1H3
InChIKeyLYXOCIIQXPVFGO-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.10
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one

1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one (PubChem CID 116572161) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one
PubChem CID116572161
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one
SMILESCOc1ccc(CC(=O)CCOC2CCNCC2)cc1F
InChIInChI=1S/C16H22FNO3/c1-20-16-3-2-12(11-15(16)17)10-13(19)6-9-21-14-4-7-18-8-5-14/h2-3,11,14,18H,4-10H2,1H3
InChIKeyLYXOCIIQXPVFGO-UHFFFAOYSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-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

4-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 43167840
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572237
1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 103052354
1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one
CID 116572273
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116557505
1-(3-bromo-4-methoxyphenyl)-4-piperidin-4-ylbutan-2-one
CID 116563510
4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one
CID 116572330
1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride
CID 67928685
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 119634986

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one (CID 116572161) is 1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one is COc1ccc(CC(=O)CCOC2CCNCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one?
The InChIKey is LYXOCIIQXPVFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-20-16-3-2-12(11-15(16)17)10-13(19)6-9-21-14-4-7-18-8-5-14/h2-3,11,14,18H,4-10H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one?
1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one has a molecular weight of 295.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one is sourced from PubChem (CID 116572161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).