8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C23H36N2O2 — CID 46955171

IUPAC8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(C2(O)CC3CCC(C2)N3CC(C)(C)CN2CCCC2)cc1
InChIInChI=1S/C23H36N2O2/c1-22(2,16-24-12-4-5-13-24)17-25-19-8-9-20(25)15-23(26,14-19)18-6-10-21(27-3)11-7-18/h6-7,10-11,19-20,26H,4-5,8-9,12-17H2,1-3H3
InChIKeyDJTYLKLGKCPIDX-UHFFFAOYSA-N
MW372.55 g/mol
LogP3.63
Rot. Bonds6

About 8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 46955171) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID46955171
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(C2(O)CC3CCC(C2)N3CC(C)(C)CN2CCCC2)cc1
InChIInChI=1S/C23H36N2O2/c1-22(2,16-24-12-4-5-13-24)17-25-19-8-9-20(25)15-23(26,14-19)18-6-10-21(27-3)11-7-18/h6-7,10-11,19-20,26H,4-5,8-9,12-17H2,1-3H3
InChIKeyDJTYLKLGKCPIDX-UHFFFAOYSA-N
XLogP3.63
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 46955171) is 8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol is COc1ccc(C2(O)CC3CCC(C2)N3CC(C)(C)CN2CCCC2)cc1.
What is the InChIKey of 8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DJTYLKLGKCPIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-22(2,16-24-12-4-5-13-24)17-25-19-8-9-20(25)15-23(26,14-19)18-6-10-21(27-3)11-7-18/h6-7,10-11,19-20,26H,4-5,8-9,12-17H2,1-3H3.
What are the key properties of 8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 372.55 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 46955171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).