2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone

C20H22FNO2 — CID 50846863

IUPAC2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H22FNO2/c1-15-5-7-18(8-6-15)24-19-9-11-22(12-10-19)20(23)14-16-3-2-4-17(21)13-16/h2-8,13,19H,9-12,14H2,1H3
InChIKeyIYSYIXANILAGLN-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.75
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone (PubChem CID 50846863) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
PubChem CID50846863
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H22FNO2/c1-15-5-7-18(8-6-15)24-19-9-11-22(12-10-19)20(23)14-16-3-2-4-17(21)13-16/h2-8,13,19H,9-12,14H2,1H3
InChIKeyIYSYIXANILAGLN-UHFFFAOYSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid
CID 58347523
2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 113073970
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 79736194
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
CID 47906774
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
CID 91907818

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone (CID 50846863) is 2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone is Cc1ccc(OC2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone?
The InChIKey is IYSYIXANILAGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-15-5-7-18(8-6-15)24-19-9-11-22(12-10-19)20(23)14-16-3-2-4-17(21)13-16/h2-8,13,19H,9-12,14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone has a molecular weight of 327.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 50846863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).