[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol

C25H32N2O — CID 70690653

IUPAC[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
SMILESOC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCCC1
InChIInChI=1S/C25H32N2O/c28-18-22-21-17-27(16-19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)23(21)25(22)26-14-8-3-9-15-26/h1-2,4-7,10-13,21-25,28H,3,8-9,14-18H2/t21-,22+,23+,24-,25-/m0/s1
InChIKeyZYXIICVCCTVXCC-QVXKZJQXSA-N
MW376.54 g/mol
LogP3.95
Rot. Bonds5

About [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol

[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol (PubChem CID 70690653) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
PubChem CID70690653
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
SMILESOC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCCC1
InChIInChI=1S/C25H32N2O/c28-18-22-21-17-27(16-19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)23(21)25(22)26-14-8-3-9-15-26/h1-2,4-7,10-13,21-25,28H,3,8-9,14-18H2/t21-,22+,23+,24-,25-/m0/s1
InChIKeyZYXIICVCCTVXCC-QVXKZJQXSA-N
XLogP3.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The IUPAC name of [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol (CID 70690653) is [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol.
What is the SMILES notation for [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The canonical SMILES for [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol is OC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2[C@H]1N1CCCCC1.
What is the InChIKey of [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The InChIKey is ZYXIICVCCTVXCC-QVXKZJQXSA-N. The full InChI is InChI=1S/C25H32N2O/c28-18-22-21-17-27(16-19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)23(21)25(22)26-14-8-3-9-15-26/h1-2,4-7,10-13,21-25,28H,3,8-9,14-18H2/t21-,22+,23+,24-,25-/m0/s1.
What are the key properties of [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol has a molecular weight of 376.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-piperidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol is sourced from PubChem (CID 70690653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).