4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

C17H25NO — CID 105365757

IUPAC4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESCC(C)c1ccc(CC2(O)CCN3CCC2C3)cc1
InChIInChI=1S/C17H25NO/c1-13(2)15-5-3-14(4-6-15)11-17(19)8-10-18-9-7-16(17)12-18/h3-6,13,16,19H,7-12H2,1-2H3
InChIKeyUJWSCYJDTWLMJN-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.81
Rot. Bonds3

About 4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365757) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365757
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESCC(C)c1ccc(CC2(O)CCN3CCC2C3)cc1
InChIInChI=1S/C17H25NO/c1-13(2)15-5-3-14(4-6-15)11-17(19)8-10-18-9-7-16(17)12-18/h3-6,13,16,19H,7-12H2,1-2H3
InChIKeyUJWSCYJDTWLMJN-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol
CID 83823956
4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365921
4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105366023
4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105366009
2-methoxy-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 106873705
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 65146674
2-methyl-3-[(4-propan-2-ylphenyl)methyl]thian-3-ol
CID 79952167
4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365802
4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365930
1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol
CID 115401282
4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65147785
3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65154218

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (CID 105365757) is 4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is CC(C)c1ccc(CC2(O)CCN3CCC2C3)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is UJWSCYJDTWLMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)15-5-3-14(4-6-15)11-17(19)8-10-18-9-7-16(17)12-18/h3-6,13,16,19H,7-12H2,1-2H3.
What are the key properties of 4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 259.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).