4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol

C12H17NO2 — CID 105366023

IUPAC4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(Cc2ccco2)CCN2CCC1C2
InChIInChI=1S/C12H17NO2/c14-12(8-11-2-1-7-15-11)4-6-13-5-3-10(12)9-13/h1-2,7,10,14H,3-6,8-9H2
InChIKeyYNTXISQJQZXAEB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.28
Rot. Bonds2

About 4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol

4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105366023) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105366023
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(Cc2ccco2)CCN2CCC1C2
InChIInChI=1S/C12H17NO2/c14-12(8-11-2-1-7-15-11)4-6-13-5-3-10(12)9-13/h1-2,7,10,14H,3-6,8-9H2
InChIKeyYNTXISQJQZXAEB-UHFFFAOYSA-N
XLogP1.28
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 83171533
4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365938
4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105366009
4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol
CID 83823956
4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365768
3-(furan-2-ylmethyl)-2-methylthian-3-ol
CID 83173054
4-(furan-2-ylmethyl)-1-phenylpiperidin-4-ol
CID 106820831
2-[[1-(chloromethyl)cyclopropyl]methyl]furan
CID 66033762
[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 66024942
1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205
1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 83171605
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone
CID 83172966

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol (CID 105366023) is 4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol is OC1(Cc2ccco2)CCN2CCC1C2.
What is the InChIKey of 4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is YNTXISQJQZXAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-12(8-11-2-1-7-15-11)4-6-13-5-3-10(12)9-13/h1-2,7,10,14H,3-6,8-9H2.
What are the key properties of 4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 207.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105366023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).