1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol

C9H17NO2 — CID 91014588

IUPAC1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
SMILESCCC(O)N1CC2CCC(C1)O2
InChIInChI=1S/C9H17NO2/c1-2-9(11)10-5-7-3-4-8(6-10)12-7/h7-9,11H,2-6H2,1H3
InChIKeyCNPWPYTYIUYROM-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.58
Rot. Bonds2

About 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol

1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol (PubChem CID 91014588) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
PubChem CID91014588
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
SMILESCCC(O)N1CC2CCC(C1)O2
InChIInChI=1S/C9H17NO2/c1-2-9(11)10-5-7-3-4-8(6-10)12-7/h7-9,11H,2-6H2,1H3
InChIKeyCNPWPYTYIUYROM-UHFFFAOYSA-N
XLogP0.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Oxa-6-azabicyclo(3.2.1)octane, 6-(2-hydroxyethyl)-
CID 97171
US10214537, Example 164
CID 132220337
8-Oxa-6-azabicyclo(3.2.1)octane, 6-(3-(bis(2-hydroxyethyl)amino)propyl)-
CID 3056548
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-ol hydrochloride
CID 137964486
1-Morpholin-4-ylhexan-2-ol
CID 15187184
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-ol
CID 66370951
(2R)-1-morpholin-4-ylhexan-2-ol
CID 15187185
1,1,1-Trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol
CID 66371927
1-Fluoro-3-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}propan-2-ol
CID 127008570
3,3-Difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol;hydrochloride
CID 129320107
3,3-Difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
CID 129320108
3-Hexyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 17965845

Frequently Asked Questions

What is the IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
The IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol (CID 91014588) is 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol.
What is the SMILES notation for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
The canonical SMILES for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol is CCC(O)N1CC2CCC(C1)O2.
What is the InChIKey of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
The InChIKey is CNPWPYTYIUYROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-9(11)10-5-7-3-4-8(6-10)12-7/h7-9,11H,2-6H2,1H3.
What are the key properties of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol has a molecular weight of 171.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol is sourced from PubChem (CID 91014588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).