7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

C17H25NO2 — CID 111457282

IUPAC7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C17H25NO2/c1-2-20-16-12-15(19)17(16)8-10-18(11-9-17)13-14-6-4-3-5-7-14/h3-7,15-16,19H,2,8-13H2,1H3
InChIKeyNGJZKNUWPFTWNS-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.44
Rot. Bonds4

About 7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 111457282) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID111457282
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C17H25NO2/c1-2-20-16-12-15(19)17(16)8-10-18(11-9-17)13-14-6-4-3-5-7-14/h3-7,15-16,19H,2,8-13H2,1H3
InChIKeyNGJZKNUWPFTWNS-UHFFFAOYSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-chlorophenyl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457307
3-ethoxy-7-[(1-phenyltetrazol-5-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457359
(2S)-2-amino-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-phenylpropan-1-one
CID 125134162
3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457237
2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111456899
3-ethoxy-7-[(2-fluoro-6-nitrophenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457115
3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111969522
3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide
CID 111476833
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone
CID 111456853
3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol
CID 78086171
(1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 97100866
3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 110009097

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (CID 111457282) is 7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is NGJZKNUWPFTWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-20-16-12-15(19)17(16)8-10-18(11-9-17)13-14-6-4-3-5-7-14/h3-7,15-16,19H,2,8-13H2,1H3.
What are the key properties of 7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 111457282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).