3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol

C18H26FNO2 — CID 111457121

IUPAC3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(C(C)c1ccccc1F)CC2
InChIInChI=1S/C18H26FNO2/c1-3-22-17-12-16(21)18(17)8-10-20(11-9-18)13(2)14-6-4-5-7-15(14)19/h4-7,13,16-17,21H,3,8-12H2,1-2H3
InChIKeyLLFNFBOKEZRBLU-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.14
Rot. Bonds4

About 3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol

3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 111457121) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID111457121
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(C(C)c1ccccc1F)CC2
InChIInChI=1S/C18H26FNO2/c1-3-22-17-12-16(21)18(17)8-10-20(11-9-18)13(2)14-6-4-5-7-15(14)19/h4-7,13,16-17,21H,3,8-12H2,1-2H3
InChIKeyLLFNFBOKEZRBLU-UHFFFAOYSA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-Fluorobenzyl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191979
rel-(1R,3S)-3-(2-aminoethoxy)-7-(2,6-difluorobenzyl)-7-azaspiro[3.5]nonan-1-ol dihydrochloride
CID 70712847
(1R*,3S*)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 72884205
[1-(4-Fluoro-3-methylbenzyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72889123
7-[(3,4-Difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
CID 110197972
3-Methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonane
CID 124075330
(2R,3R,4R)-1-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)piperidine-3,4-diol
CID 118986933
2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol
CID 71155880
2-[1-(2-fluorobenzyl)-4-(tetrahydro-2H-pyran-4-yl)-2-piperazinyl]ethanol
CID 45168520
2-[4-(2,2-Dimethylpropyl)-1-(4-fluorobenzyl)-2-piperazinyl]ethanol
CID 45229459
[4-Benzyl-1-(3-fluorobenzyl)-4-piperidinyl]methanol
CID 45594632
7-[1-[3,5-Bis(trifluoromethyl)phenyl]ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 72127511

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol (CID 111457121) is 3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(C(C)c1ccccc1F)CC2.
What is the InChIKey of 3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is LLFNFBOKEZRBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-3-22-17-12-16(21)18(17)8-10-20(11-9-18)13(2)14-6-4-5-7-15(14)19/h4-7,13,16-17,21H,3,8-12H2,1-2H3.
What are the key properties of 3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol?
3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 307.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 111457121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).