9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol

C26H29NO2 — CID 171957410

IUPAC9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1ccc2ccccc2c1C1(O)CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C26H29NO2/c1-29-24-15-14-20-10-5-6-13-23(20)25(24)26(28)16-21-11-7-12-22(17-26)27(21)18-19-8-3-2-4-9-19/h2-6,8-10,13-15,21-22,28H,7,11-12,16-18H2,1H3
InChIKeyYOXBNEGZJLVQKK-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.25
Rot. Bonds4

About 9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol

9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171957410) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171957410
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1ccc2ccccc2c1C1(O)CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C26H29NO2/c1-29-24-15-14-20-10-5-6-13-23(20)25(24)26(28)16-21-11-7-12-22(17-26)27(21)18-19-8-3-2-4-9-19/h2-6,8-10,13-15,21-22,28H,7,11-12,16-18H2,1H3
InChIKeyYOXBNEGZJLVQKK-UHFFFAOYSA-N
XLogP5.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol with MolForge

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Related Compounds

benzyl 3-hydroxy-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171957413
3-(2-methoxynaphthalen-1-yl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171957405
8-benzyl-3-(4-methoxy-3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961415
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957681
9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953205
benzyl 3-(2,6-dimethoxyphenyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171955290
9-benzyl-3-[(2,6-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962131
9-benzyl-3-[3-(difluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961885
8-benzyl-3-(3,4-difluoro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954789
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171958704

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171957410) is 9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol is COc1ccc2ccccc2c1C1(O)CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is YOXBNEGZJLVQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-29-24-15-14-20-10-5-6-13-23(20)25(24)26(28)16-21-11-7-12-22(17-26)27(21)18-19-8-3-2-4-9-19/h2-6,8-10,13-15,21-22,28H,7,11-12,16-18H2,1H3.
What are the key properties of 9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 387.52 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171957410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).