[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone

C18H24FNO3 — CID 50846781

IUPAC[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(CCOc2ccccc2F)CC1
InChIInChI=1S/C18H24FNO3/c19-16-3-1-2-4-17(16)23-12-7-14-5-9-20(10-6-14)18(21)15-8-11-22-13-15/h1-4,14-15H,5-13H2
InChIKeyMGGDVVCGDQPKSW-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.87
Rot. Bonds5

About [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone

[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 50846781) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID50846781
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(CCOc2ccccc2F)CC1
InChIInChI=1S/C18H24FNO3/c19-16-3-1-2-4-17(16)23-12-7-14-5-9-20(10-6-14)18(21)15-8-11-22-13-15/h1-4,14-15H,5-13H2
InChIKeyMGGDVVCGDQPKSW-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 53037979
1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 50846846
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95894763
(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 50846942
[(3S)-oxolan-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95272421
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 119484287
methyl 9-[2-(2-fluorophenyl)ethoxy]-7-oxo-3-[(3R)-oxolane-3-carbonyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 26317666
methyl 9-[2-(2-fluorophenyl)ethoxy]-7-oxo-3-(oxolane-3-carbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 45218569
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(2-fluorophenoxy)butan-1-one
CID 55956319
6-[4-[3-[2-(2-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 91909315

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone (CID 50846781) is [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCC(CCOc2ccccc2F)CC1.
What is the InChIKey of [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is MGGDVVCGDQPKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c19-16-3-1-2-4-17(16)23-12-7-14-5-9-20(10-6-14)18(21)15-8-11-22-13-15/h1-4,14-15H,5-13H2.
What are the key properties of [4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone?
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 321.39 g/mol, XLogP of 2.87, 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]-(oxolan-3-yl)methanone is sourced from PubChem (CID 50846781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).