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

C18H26FNO3 — CID 111457198

IUPAC3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(CC(O)c1cccc(F)c1)CC2
InChIInChI=1S/C18H26FNO3/c1-2-23-17-11-16(22)18(17)6-8-20(9-7-18)12-15(21)13-4-3-5-14(19)10-13/h3-5,10,15-17,21-22H,2,6-9,11-12H2,1H3
InChIKeyQUWRHODDJWZZBS-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.11
Rot. Bonds5

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

3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 111457198) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID111457198
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(CC(O)c1cccc(F)c1)CC2
InChIInChI=1S/C18H26FNO3/c1-2-23-17-11-16(22)18(17)6-8-20(9-7-18)12-15(21)13-4-3-5-14(19)10-13/h3-5,10,15-17,21-22H,2,6-9,11-12H2,1H3
InChIKeyQUWRHODDJWZZBS-UHFFFAOYSA-N
XLogP2.11
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
3-[(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methyl]-2-fluorobenzonitrile
CID 146125489
3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 55156133
(1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 97100791
3-(2,4-difluorophenyl)-1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 133123141
3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295481
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-1-(3-fluorophenyl)ethanol
CID 166329799
tert-butyl 4-[2-(3-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 56771184
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78087863
(5R)-7-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 100870577
4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile
CID 97218063
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55831351

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol (CID 111457198) is 3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(CC(O)c1cccc(F)c1)CC2.
What is the InChIKey of 3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is QUWRHODDJWZZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-2-23-17-11-16(22)18(17)6-8-20(9-7-18)12-15(21)13-4-3-5-14(19)10-13/h3-5,10,15-17,21-22H,2,6-9,11-12H2,1H3.
What are the key properties of 3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol?
3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 323.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-[2-(3-fluorophenyl)-2-hydroxyethyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 111457198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).