1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C15H28N2O2 — CID 114622703

IUPAC1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)C2CN3CCN2CC3)C(C)(C)O1
InChIInChI=1S/C15H28N2O2/c1-14(2)9-11(15(3,4)19-14)13(18)12-10-16-5-7-17(12)8-6-16/h11-13,18H,5-10H2,1-4H3
InChIKeyHTGAPYLQKAWTQC-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.94
Rot. Bonds2

About 1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol

1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622703) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622703
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)C2CN3CCN2CC3)C(C)(C)O1
InChIInChI=1S/C15H28N2O2/c1-14(2)9-11(15(3,4)19-14)13(18)12-10-16-5-7-17(12)8-6-16/h11-13,18H,5-10H2,1-4H3
InChIKeyHTGAPYLQKAWTQC-UHFFFAOYSA-N
XLogP0.94
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol with MolForge

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Related Compounds

3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622044
(3S)-N-[[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 97106932
3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622050
1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622611
(5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 103345318
2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622674
1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol
CID 115838780
3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622577
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968
3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622047

Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622703) is 1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for 1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for 1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)C2CN3CCN2CC3)C(C)(C)O1.
What is the InChIKey of 1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is HTGAPYLQKAWTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2)9-11(15(3,4)19-14)13(18)12-10-16-5-7-17(12)8-6-16/h11-13,18H,5-10H2,1-4H3.
What are the key properties of 1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 268.40 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[2.2.2]octan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).