1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol

C15H18N2O2 — CID 114727004

IUPAC1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
SMILESOC(c1cc2ccccc2o1)C1CN2CCN1CC2
InChIInChI=1S/C15H18N2O2/c18-15(12-10-16-5-7-17(12)8-6-16)14-9-11-3-1-2-4-13(11)19-14/h1-4,9,12,15,18H,5-8,10H2
InChIKeyDZKXHSOWMUAKEW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.47
Rot. Bonds2

About 1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol

1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol (PubChem CID 114727004) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
PubChem CID114727004
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
SMILESOC(c1cc2ccccc2o1)C1CN2CCN1CC2
InChIInChI=1S/C15H18N2O2/c18-15(12-10-16-5-7-17(12)8-6-16)14-9-11-3-1-2-4-13(11)19-14/h1-4,9,12,15,18H,5-8,10H2
InChIKeyDZKXHSOWMUAKEW-UHFFFAOYSA-N
XLogP1.47
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105250125
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946
1-benzofuran-2-yl(cyclohexyl)methanol
CID 63090422
1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine
CID 66201644
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66372336
1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol
CID 79559824
(4-tert-butylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
CID 79969198
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
(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
2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 63897517
2-(1-benzofuran-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119578543
[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium
CID 140776559

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol?
The IUPAC name of 1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol (CID 114727004) is 1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol?
The canonical SMILES for 1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol is OC(c1cc2ccccc2o1)C1CN2CCN1CC2.
What is the InChIKey of 1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol?
The InChIKey is DZKXHSOWMUAKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(12-10-16-5-7-17(12)8-6-16)14-9-11-3-1-2-4-13(11)19-14/h1-4,9,12,15,18H,5-8,10H2.
What are the key properties of 1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol?
1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol has a molecular weight of 258.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol is sourced from PubChem (CID 114727004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).