1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

C19H22N2O — CID 42582087

IUPAC1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESOC1C2(c3ccccc3)CNCC1(c1ccccc1)CNC2
InChIInChI=1S/C19H22N2O/c22-17-18(15-7-3-1-4-8-15)11-20-13-19(17,14-21-12-18)16-9-5-2-6-10-16/h1-10,17,20-22H,11-14H2
InChIKeyAMBSFNUCUNMURE-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.43
Rot. Bonds2

About 1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (PubChem CID 42582087) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
PubChem CID42582087
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESOC1C2(c3ccccc3)CNCC1(c1ccccc1)CNC2
InChIInChI=1S/C19H22N2O/c22-17-18(15-7-3-1-4-8-15)11-20-13-19(17,14-21-12-18)16-9-5-2-6-10-16/h1-10,17,20-22H,11-14H2
InChIKeyAMBSFNUCUNMURE-UHFFFAOYSA-N
XLogP1.43
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (CID 42582087) is 1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is OC1C2(c3ccccc3)CNCC1(c1ccccc1)CNC2.
What is the InChIKey of 1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The InChIKey is AMBSFNUCUNMURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-17-18(15-7-3-1-4-8-15)11-20-13-19(17,14-21-12-18)16-9-5-2-6-10-16/h1-10,17,20-22H,11-14H2.
What are the key properties of 1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol has a molecular weight of 294.40 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 42582087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).