8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C17H25NO — CID 83825755

IUPAC8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C17H25NO/c1-13(2)17(19)10-15-8-9-16(11-17)18(15)12-14-6-4-3-5-7-14/h3-7,13,15-16,19H,8-12H2,1-2H3
InChIKeyWHDDCOPWJXULMJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.20
Rot. Bonds3

About 8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 83825755) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID83825755
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C17H25NO/c1-13(2)17(19)10-15-8-9-16(11-17)18(15)12-14-6-4-3-5-7-14/h3-7,13,15-16,19H,8-12H2,1-2H3
InChIKeyWHDDCOPWJXULMJ-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954961
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
8-benzyl-8-azabicyclo[3.2.1]octan-3-one;8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 159859403
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172
8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171962124
8-benzyl-3-decyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955895
8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959524
9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953205
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
8-benzyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952151
8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
CID 85186782
2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 83913342

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 83825755) is 8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is CC(C)C1(O)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WHDDCOPWJXULMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)17(19)10-15-8-9-16(11-17)18(15)12-14-6-4-3-5-7-14/h3-7,13,15-16,19H,8-12H2,1-2H3.
What are the key properties of 8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 259.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 83825755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).