1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine

C17H24FNO3 — CID 138808176

IUPAC1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
SMILESFc1ccccc1OC1CCN(CCC2COCCO2)CC1
InChIInChI=1S/C17H24FNO3/c18-16-3-1-2-4-17(16)22-14-5-8-19(9-6-14)10-7-15-13-20-11-12-21-15/h1-4,14-15H,5-13H2
InChIKeyACRFTQARTZHVBH-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.47
Rot. Bonds5

About 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine

1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine (PubChem CID 138808176) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine.

Molecular Properties

Compound Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
PubChem CID138808176
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
SMILESFc1ccccc1OC1CCN(CCC2COCCO2)CC1
InChIInChI=1S/C17H24FNO3/c18-16-3-1-2-4-17(16)22-14-5-8-19(9-6-14)10-7-15-13-20-11-12-21-15/h1-4,14-15H,5-13H2
InChIKeyACRFTQARTZHVBH-UHFFFAOYSA-N
XLogP2.47
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
CID 138807451
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 139598682
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine
CID 138807936
4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981140
4-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]morpholine
CID 139599433
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(3-phenylpropyl)piperidine;formic acid
CID 154919917
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 138806391
2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 138809318
4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95862588
3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 138808586
N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide
CID 138807976

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine?
The IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine (CID 138808176) is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine.
What is the SMILES notation for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine?
The canonical SMILES for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine is Fc1ccccc1OC1CCN(CCC2COCCO2)CC1.
What is the InChIKey of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine?
The InChIKey is ACRFTQARTZHVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c18-16-3-1-2-4-17(16)22-14-5-8-19(9-6-14)10-7-15-13-20-11-12-21-15/h1-4,14-15H,5-13H2.
What are the key properties of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine?
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine has a molecular weight of 309.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine is sourced from PubChem (CID 138808176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).