8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H20FNO3 — CID 19794404

IUPAC8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(OCCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H20FNO3/c16-13-1-3-14(4-2-13)18-10-9-17-7-5-15(6-8-17)19-11-12-20-15/h1-4H,5-12H2
InChIKeyWIZQMQHAAWXEMO-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.04
Rot. Bonds4

About 8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 19794404) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID19794404
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(OCCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H20FNO3/c16-13-1-3-14(4-2-13)18-10-9-17-7-5-15(6-8-17)19-11-12-20-15/h1-4H,5-12H2
InChIKeyWIZQMQHAAWXEMO-UHFFFAOYSA-N
XLogP2.04
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol
CID 95472427
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
8-[(4-fluorophenoxy)methyl]-1,4-dioxaspiro[4.5]decane
CID 58923764
4-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]morpholine
CID 30983916
1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride
CID 21472470
4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine
CID 121418729
4-[2-(4-fluorophenoxy)ethyl]-9-(pyrimidin-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 131926555
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 63148518
4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
CID 59343379

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 19794404) is 8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccc(OCCN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is WIZQMQHAAWXEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-13-1-3-14(4-2-13)18-10-9-17-7-5-15(6-8-17)19-11-12-20-15/h1-4H,5-12H2.
What are the key properties of 8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 281.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 19794404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).