(1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol

C15H21NO — CID 10966348

IUPAC(1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@@H](c1ccccc1)N1C[C@@H]2C[C@H](O)C[C@H]1C2
InChIInChI=1S/C15H21NO/c1-11(13-5-3-2-4-6-13)16-10-12-7-14(16)9-15(17)8-12/h2-6,11-12,14-15,17H,7-10H2,1H3/t11-,12-,14+,15-/m0/s1
InChIKeyXHWREVHNUDVMMK-VIRABCJISA-N
MW231.34 g/mol
LogP2.59
Rot. Bonds2

About (1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol

(1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol (PubChem CID 10966348) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol
PubChem CID10966348
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@@H](c1ccccc1)N1C[C@@H]2C[C@H](O)C[C@H]1C2
InChIInChI=1S/C15H21NO/c1-11(13-5-3-2-4-6-13)16-10-12-7-14(16)9-15(17)8-12/h2-6,11-12,14-15,17H,7-10H2,1H3/t11-,12-,14+,15-/m0/s1
InChIKeyXHWREVHNUDVMMK-VIRABCJISA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol (CID 10966348) is (1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol is C[C@@H](c1ccccc1)N1C[C@@H]2C[C@H](O)C[C@H]1C2.
What is the InChIKey of (1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XHWREVHNUDVMMK-VIRABCJISA-N. The full InChI is InChI=1S/C15H21NO/c1-11(13-5-3-2-4-6-13)16-10-12-7-14(16)9-15(17)8-12/h2-6,11-12,14-15,17H,7-10H2,1H3/t11-,12-,14+,15-/m0/s1.
What are the key properties of (1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol?
(1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5R)-6-[(1S)-1-phenylethyl]-6-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 10966348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).