(1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol

C13H17NO — CID 15669539

IUPAC(1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol
SMILESO[C@H]1C[C@H]2C[C@@H]1CN2Cc1ccccc1
InChIInChI=1S/C13H17NO/c15-13-7-12-6-11(13)9-14(12)8-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12-,13+/m1/s1
InChIKeyWDBYOLRRCRYHIX-UPJWGTAASA-N
MW203.29 g/mol
LogP1.64
Rot. Bonds2

About (1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol

(1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol (PubChem CID 15669539) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol.

Molecular Properties

Compound Name(1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol
PubChem CID15669539
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol
SMILESO[C@H]1C[C@H]2C[C@@H]1CN2Cc1ccccc1
InChIInChI=1S/C13H17NO/c15-13-7-12-6-11(13)9-14(12)8-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12-,13+/m1/s1
InChIKeyWDBYOLRRCRYHIX-UPJWGTAASA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperidin-4-ol
CID 78461
(1-Benzylpiperidin-4-yl)methanol
CID 736802
(1-Benzylpyrrolidin-3-yl)methanol
CID 5176654
1-Benzyl-2,5-dimethylpiperidin-4-ol
CID 3104852
Acetic acid 2-benzyl-2-aza-bicyclo[2.2.1]hept-5-yl ester
CID 44309790
3-Benzyl-3-azabicyclo[3.2.1]octan-8-OL
CID 23159153
1-Piperidinepropanol, gamma-phenyl-
CID 201866
(R)-1-Benzyl-beta-prolinol
CID 1514330
(1-Benzylpiperidin-2-yl)methanol
CID 2735486
1-Benzyl-2-methylpiperidin-3-ol
CID 83848242
3-(1-Benzylpiperidin-4-yl)propan-1-ol
CID 11436230
1-Benzyl-3-methylpiperidin-4-ol
CID 13611492

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol?
The IUPAC name of (1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol (CID 15669539) is (1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol.
What is the SMILES notation for (1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol?
The canonical SMILES for (1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol is O[C@H]1C[C@H]2C[C@@H]1CN2Cc1ccccc1.
What is the InChIKey of (1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol?
The InChIKey is WDBYOLRRCRYHIX-UPJWGTAASA-N. The full InChI is InChI=1S/C13H17NO/c15-13-7-12-6-11(13)9-14(12)8-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12-,13+/m1/s1.
What are the key properties of (1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol?
(1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol has a molecular weight of 203.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S)-2-benzyl-2-azabicyclo[2.2.1]heptan-5-ol is sourced from PubChem (CID 15669539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).