8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

C14H20N2O — CID 171959372

IUPAC8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(Cc1ccncc1)C2
InChIInChI=1S/C14H20N2O/c1-16-12-2-3-13(16)10-14(17,9-12)8-11-4-6-15-7-5-11/h4-7,12-13,17H,2-3,8-10H2,1H3
InChIKeySQDPVAANOVRIIS-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.61
Rot. Bonds2

About 8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171959372) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171959372
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(Cc1ccncc1)C2
InChIInChI=1S/C14H20N2O/c1-16-12-2-3-13(16)10-14(17,9-12)8-11-4-6-15-7-5-11/h4-7,12-13,17H,2-3,8-10H2,1H3
InChIKeySQDPVAANOVRIIS-UHFFFAOYSA-N
XLogP1.61
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171959372) is 8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(Cc1ccncc1)C2.
What is the InChIKey of 8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SQDPVAANOVRIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-12-2-3-13(16)10-14(17,9-12)8-11-4-6-15-7-5-11/h4-7,12-13,17H,2-3,8-10H2,1H3.
What are the key properties of 8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 232.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171959372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).