(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol

C14H19NO — CID 14762744

IUPAC(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1
InChIInChI=1S/C14H19NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14?
InChIKeyHCBGIBWAPOFRKI-PBWFPOADSA-N
MW217.31 g/mol
LogP2.17
Rot. Bonds2

About (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol

(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 14762744) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID14762744
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1
InChIInChI=1S/C14H19NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14?
InChIKeyHCBGIBWAPOFRKI-PBWFPOADSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol (CID 14762744) is (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol is OC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1.
What is the InChIKey of (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HCBGIBWAPOFRKI-PBWFPOADSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14?.
What are the key properties of (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 217.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 14762744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).