(1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

C19H27NO2 — CID 72884205

IUPAC(1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C1Cc3ccccc3C1)CC2
InChIInChI=1S/C19H27NO2/c1-2-22-18-13-17(21)19(18)7-9-20(10-8-19)16-11-14-5-3-4-6-15(14)12-16/h3-6,16-18,21H,2,7-13H2,1H3/t17-,18+/m1/s1
InChIKeyHUVHQHVXYOPTCC-MSOLQXFVSA-N
MW301.43 g/mol
LogP2.41
Rot. Bonds3

About (1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 72884205) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID72884205
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C1Cc3ccccc3C1)CC2
InChIInChI=1S/C19H27NO2/c1-2-22-18-13-17(21)19(18)7-9-20(10-8-19)16-11-14-5-3-4-6-15(14)12-16/h3-6,16-18,21H,2,7-13H2,1H3/t17-,18+/m1/s1
InChIKeyHUVHQHVXYOPTCC-MSOLQXFVSA-N
XLogP2.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-ol
CID 13010316
1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-ol
CID 30982880
(3R*,4R*)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-4-ol
CID 70712610
(1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 70716941
(1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl)methanol
CID 92130772
[1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 25449340
(1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 86283291
N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 91649471
7-[1-(2,6-Difluorophenyl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457117
3-Ethoxy-7-[1-(2-fluorophenyl)ethyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457121
3-Ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457215
3-Ethoxy-7-[(5-fluoro-2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 121531390

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (CID 72884205) is (1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is CCO[C@H]1C[C@@H](O)C12CCN(C1Cc3ccccc3C1)CC2.
What is the InChIKey of (1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is HUVHQHVXYOPTCC-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H27NO2/c1-2-22-18-13-17(21)19(18)7-9-20(10-8-19)16-11-14-5-3-4-6-15(14)12-16/h3-6,16-18,21H,2,7-13H2,1H3/t17-,18+/m1/s1.
What are the key properties of (1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 301.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 72884205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).