[2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol

C13H23NO2 — CID 90428305

IUPAC[2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol
SMILESOCC1CCCCC1N1CC2CC[C@@H](C1)O2
InChIInChI=1S/C13H23NO2/c15-9-10-3-1-2-4-13(10)14-7-11-5-6-12(8-14)16-11/h10-13,15H,1-9H2/t10?,11-,12?,13?/m0/s1
InChIKeyBBROCZCWKRTESA-ZNOXQBFJSA-N
MW225.33 g/mol
LogP1.40
Rot. Bonds2

About [2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol

[2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol (PubChem CID 90428305) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol
PubChem CID90428305
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol
SMILESOCC1CCCCC1N1CC2CC[C@@H](C1)O2
InChIInChI=1S/C13H23NO2/c15-9-10-3-1-2-4-13(10)14-7-11-5-6-12(8-14)16-11/h10-13,15H,1-9H2/t10?,11-,12?,13?/m0/s1
InChIKeyBBROCZCWKRTESA-ZNOXQBFJSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol?
The IUPAC name of [2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol (CID 90428305) is [2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol?
The canonical SMILES for [2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol is OCC1CCCCC1N1CC2CC[C@@H](C1)O2.
What is the InChIKey of [2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol?
The InChIKey is BBROCZCWKRTESA-ZNOXQBFJSA-N. The full InChI is InChI=1S/C13H23NO2/c15-9-10-3-1-2-4-13(10)14-7-11-5-6-12(8-14)16-11/h10-13,15H,1-9H2/t10?,11-,12?,13?/m0/s1.
What are the key properties of [2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol?
[2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol has a molecular weight of 225.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]methanol is sourced from PubChem (CID 90428305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).