3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C15H22N2O — CID 171957840

IUPAC3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C2(O)CC3CCC(C2)N3C)cc(C)n1
InChIInChI=1S/C15H22N2O/c1-10-6-12(7-11(2)16-10)15(18)8-13-4-5-14(9-15)17(13)3/h6-7,13-14,18H,4-5,8-9H2,1-3H3
InChIKeyFAFYWERKIBFRSD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.14
Rot. Bonds1

About 3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171957840) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171957840
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C2(O)CC3CCC(C2)N3C)cc(C)n1
InChIInChI=1S/C15H22N2O/c1-10-6-12(7-11(2)16-10)15(18)8-13-4-5-14(9-15)17(13)3/h6-7,13-14,18H,4-5,8-9H2,1-3H3
InChIKeyFAFYWERKIBFRSD-UHFFFAOYSA-N
XLogP2.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171957840) is 3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is Cc1cc(C2(O)CC3CCC(C2)N3C)cc(C)n1.
What is the InChIKey of 3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FAFYWERKIBFRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-6-12(7-11(2)16-10)15(18)8-13-4-5-14(9-15)17(13)3/h6-7,13-14,18H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 246.35 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171957840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).