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

C17H22FNO3 — CID 110639052

IUPAC[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(COc2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO3/c18-14-3-5-15(6-4-14)22-12-13-7-9-19(10-8-13)17(20)16-2-1-11-21-16/h3-6,13,16H,1-2,7-12H2
InChIKeyGBIUVWZAJFOINV-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.62
Rot. Bonds4

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

[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 110639052) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID110639052
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(COc2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO3/c18-14-3-5-15(6-4-14)22-12-13-7-9-19(10-8-13)17(20)16-2-1-11-21-16/h3-6,13,16H,1-2,7-12H2
InChIKeyGBIUVWZAJFOINV-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51924438
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
N-[(4-fluorophenyl)methyl]-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246303
[4-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42941292
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
2-(4-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797537
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110411687
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393
[(3S)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95097684
2-(4-ethoxyphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 108536689

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 110639052) is [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC(COc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is GBIUVWZAJFOINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c18-14-3-5-15(6-4-14)22-12-13-7-9-19(10-8-13)17(20)16-2-1-11-21-16/h3-6,13,16H,1-2,7-12H2.
What are the key properties of [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 307.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110639052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).