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

C9H17NO2 — CID 57473477

IUPAC3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
SMILESOCCCN1CC2CCC(C1)O2
InChIInChI=1S/C9H17NO2/c11-5-1-4-10-6-8-2-3-9(7-10)12-8/h8-9,11H,1-7H2
InChIKeyPLVWQCQTNDWXAT-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.23
Rot. Bonds3

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

3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol (PubChem CID 57473477) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
PubChem CID57473477
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
SMILESOCCCN1CC2CCC(C1)O2
InChIInChI=1S/C9H17NO2/c11-5-1-4-10-6-8-2-3-9(7-10)12-8/h8-9,11H,1-7H2
InChIKeyPLVWQCQTNDWXAT-UHFFFAOYSA-N
XLogP0.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

8-Oxa-6-azabicyclo(3.2.1)octane, 6-(2-hydroxyethyl)-
CID 97171
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
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-ol
CID 66370951
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
3-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol
CID 21925258
5-Morpholin-4-ylpentane-1,4-diol
CID 54516512
3-Propyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 57640040

Frequently Asked Questions

What is the IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
The IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol (CID 57473477) is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol.
What is the SMILES notation for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
The canonical SMILES for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol is OCCCN1CC2CCC(C1)O2.
What is the InChIKey of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
The InChIKey is PLVWQCQTNDWXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-5-1-4-10-6-8-2-3-9(7-10)12-8/h8-9,11H,1-7H2.
What are the key properties of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol has a molecular weight of 171.24 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol is sourced from PubChem (CID 57473477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).