(1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol

C16H19NO2 — CID 154795462

IUPAC(1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol
SMILESO[C@H](CN1CCC12CCC2)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO2/c18-13(11-17-9-8-16(17)6-3-7-16)15-10-12-4-1-2-5-14(12)19-15/h1-2,4-5,10,13,18H,3,6-9,11H2/t13-/m1/s1
InChIKeyQLIZVOCLKXWQIC-CYBMUJFWSA-N
MW257.33 g/mol
LogP3.09
Rot. Bonds3

About (1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol

(1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol (PubChem CID 154795462) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol
PubChem CID154795462
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol
SMILESO[C@H](CN1CCC12CCC2)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO2/c18-13(11-17-9-8-16(17)6-3-7-16)15-10-12-4-1-2-5-14(12)19-15/h1-2,4-5,10,13,18H,3,6-9,11H2/t13-/m1/s1
InChIKeyQLIZVOCLKXWQIC-CYBMUJFWSA-N
XLogP3.09
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol
CID 62123428
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66372336
4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one
CID 79468551
(1R)-2-[(3aR,6aS)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]-1-(1-benzofuran-2-yl)ethanol
CID 136585973
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
CID 71150503
1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179188
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol
CID 114727316
1-(1-benzofuran-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanol
CID 63024740
1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 136562540
1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
CID 63172618
1-benzofuran-2-yl(cyclohexyl)methanol
CID 63090422

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol?
The IUPAC name of (1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol (CID 154795462) is (1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol.
What is the SMILES notation for (1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol?
The canonical SMILES for (1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol is O[C@H](CN1CCC12CCC2)c1cc2ccccc2o1.
What is the InChIKey of (1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol?
The InChIKey is QLIZVOCLKXWQIC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO2/c18-13(11-17-9-8-16(17)6-3-7-16)15-10-12-4-1-2-5-14(12)19-15/h1-2,4-5,10,13,18H,3,6-9,11H2/t13-/m1/s1.
What are the key properties of (1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol?
(1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol has a molecular weight of 257.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 154795462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).