(7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane

C25H32N2 — CID 44585575

IUPAC(7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane
SMILESc1ccc([C@@H]2CC3(N4CCCCC4)CCNC2[C@H](c2ccccc2)C3)cc1
InChIInChI=1S/C25H32N2/c1-4-10-20(11-5-1)22-18-25(27-16-8-3-9-17-27)14-15-26-24(22)23(19-25)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-24,26H,3,8-9,14-19H2/t22-,23-,24?,25?/m0/s1
InChIKeyYXXLFRSJUIWSJG-HHLXFHKQSA-N
MW360.54 g/mol
LogP4.93
Rot. Bonds3

About (7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane

(7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane (PubChem CID 44585575) has the molecular formula C25H32N2 and a molecular weight of 360.54 g/mol. Its IUPAC name is (7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane
PubChem CID44585575
Molecular FormulaC25H32N2
Molecular Weight360.54 g/mol
Exact Mass360.26
IUPAC Name(7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane
SMILESc1ccc([C@@H]2CC3(N4CCCCC4)CCNC2[C@H](c2ccccc2)C3)cc1
InChIInChI=1S/C25H32N2/c1-4-10-20(11-5-1)22-18-25(27-16-8-3-9-17-27)14-15-26-24(22)23(19-25)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-24,26H,3,8-9,14-19H2/t22-,23-,24?,25?/m0/s1
InChIKeyYXXLFRSJUIWSJG-HHLXFHKQSA-N
XLogP4.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane?
The IUPAC name of (7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane (CID 44585575) is (7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane.
What is the SMILES notation for (7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane?
The canonical SMILES for (7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane is c1ccc([C@@H]2CC3(N4CCCCC4)CCNC2[C@H](c2ccccc2)C3)cc1.
What is the InChIKey of (7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane?
The InChIKey is YXXLFRSJUIWSJG-HHLXFHKQSA-N. The full InChI is InChI=1S/C25H32N2/c1-4-10-20(11-5-1)22-18-25(27-16-8-3-9-17-27)14-15-26-24(22)23(19-25)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-24,26H,3,8-9,14-19H2/t22-,23-,24?,25?/m0/s1.
What are the key properties of (7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane?
(7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane has a molecular weight of 360.54 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-7,8-diphenyl-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 44585575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).