1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol

C8H16N2O — CID 126580611

IUPAC1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol
SMILESOCC1CN2CCN(CC2)C1
InChIInChI=1S/C8H16N2O/c11-7-8-5-9-1-2-10(6-8)4-3-9/h8,11H,1-7H2
InChIKeyMCYHFPMIRBHIMX-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.77
Rot. Bonds1

About 1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol

1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol (PubChem CID 126580611) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol.

Molecular Properties

Compound Name1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol
PubChem CID126580611
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol
SMILESOCC1CN2CCN(CC2)C1
InChIInChI=1S/C8H16N2O/c11-7-8-5-9-1-2-10(6-8)4-3-9/h8,11H,1-7H2
InChIKeyMCYHFPMIRBHIMX-UHFFFAOYSA-N
XLogP-0.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol with MolForge

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

Launch Full Analysis

Related Compounds

(1-cyclopropylazetidin-3-yl)methanol
CID 152748415
[1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol
CID 82892499
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
3-(hydroxymethyl)azetidine-1-sulfinate
CID 155397027
[(6S)-1-methyl-1,4-diazepan-6-yl]methanol
CID 92669953
[(6R)-1-methyl-1,4-diazepan-6-yl]methanol
CID 92669951
1,4,8,11,14,18,23,27-octazapentacyclo[9.9.9.24,8.214,18.223,27]pentatriacontane-6,16,25-triol
CID 169229353
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
[1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol
CID 107391013
(1-chloropiperidin-3-yl)methanol
CID 123689444
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
[3-(hydroxymethyl)piperidin-1-yl]-λ2-stannane
CID 174736400

Frequently Asked Questions

What is the IUPAC name of 1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol?
The IUPAC name of 1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol (CID 126580611) is 1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol.
What is the SMILES notation for 1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol?
The canonical SMILES for 1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol is OCC1CN2CCN(CC2)C1.
What is the InChIKey of 1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol?
The InChIKey is MCYHFPMIRBHIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-7-8-5-9-1-2-10(6-8)4-3-9/h8,11H,1-7H2.
What are the key properties of 1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol?
1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol has a molecular weight of 156.23 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazabicyclo[3.2.2]nonan-3-ylmethanol is sourced from PubChem (CID 126580611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).