[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

C19H22FNO2S — CID 50846846

IUPAC[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(CCOc3ccccc3F)CC2)s1
InChIInChI=1S/C19H22FNO2S/c1-14-6-7-18(24-14)19(22)21-11-8-15(9-12-21)10-13-23-17-5-3-2-4-16(17)20/h2-7,15H,8-13H2,1H3
InChIKeyBQWAIVKPBSIVCS-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.52
Rot. Bonds5

About [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 50846846) has the molecular formula C19H22FNO2S and a molecular weight of 347.45 g/mol. Its IUPAC name is [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID50846846
Molecular FormulaC19H22FNO2S
Molecular Weight347.45 g/mol
Exact Mass347.14
IUPAC Name[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(CCOc3ccccc3F)CC2)s1
InChIInChI=1S/C19H22FNO2S/c1-14-6-7-18(24-14)19(22)21-11-8-15(9-12-21)10-13-23-17-5-3-2-4-16(17)20/h2-7,15H,8-13H2,1H3
InChIKeyBQWAIVKPBSIVCS-UHFFFAOYSA-N
XLogP4.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150687
1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747
cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 53037979
(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 50846942
[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 110411541
(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150692
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone
CID 50846781
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 4807256
[4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 79734997
N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
CID 7809022
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 50846846) is [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(CCOc3ccccc3F)CC2)s1.
What is the InChIKey of [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is BQWAIVKPBSIVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-14-6-7-18(24-14)19(22)21-11-8-15(9-12-21)10-13-23-17-5-3-2-4-16(17)20/h2-7,15H,8-13H2,1H3.
What are the key properties of [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 347.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 50846846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).