6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride

C24H31ClN2 — CID 118728469

IUPAC6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride
SMILESCl.c1ccc(C2CC3(N4CCCC4)CNCC2C(c2ccccc2)C3)cc1
InChIInChI=1S/C24H30N2.ClH/c1-3-9-19(10-4-1)21-15-24(26-13-7-8-14-26)16-22(23(21)17-25-18-24)20-11-5-2-6-12-20;/h1-6,9-12,21-23,25H,7-8,13-18H2;1H
InChIKeyFRIFQMDWNMUATD-UHFFFAOYSA-N
MW382.98 g/mol
LogP4.82
Rot. Bonds3

About 6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride

6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride (PubChem CID 118728469) has the molecular formula C24H31ClN2 and a molecular weight of 382.98 g/mol. Its IUPAC name is 6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride.

Molecular Properties

Compound Name6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride
PubChem CID118728469
Molecular FormulaC24H31ClN2
Molecular Weight382.98 g/mol
Exact Mass382.22
IUPAC Name6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride
SMILESCl.c1ccc(C2CC3(N4CCCC4)CNCC2C(c2ccccc2)C3)cc1
InChIInChI=1S/C24H30N2.ClH/c1-3-9-19(10-4-1)21-15-24(26-13-7-8-14-26)16-22(23(21)17-25-18-24)20-11-5-2-6-12-20;/h1-6,9-12,21-23,25H,7-8,13-18H2;1H
InChIKeyFRIFQMDWNMUATD-UHFFFAOYSA-N
XLogP4.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.98
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride?
The IUPAC name of 6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride (CID 118728469) is 6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride.
What is the SMILES notation for 6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride?
The canonical SMILES for 6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride is Cl.c1ccc(C2CC3(N4CCCC4)CNCC2C(c2ccccc2)C3)cc1.
What is the InChIKey of 6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride?
The InChIKey is FRIFQMDWNMUATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2.ClH/c1-3-9-19(10-4-1)21-15-24(26-13-7-8-14-26)16-22(23(21)17-25-18-24)20-11-5-2-6-12-20;/h1-6,9-12,21-23,25H,7-8,13-18H2;1H.
What are the key properties of 6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride?
6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride has a molecular weight of 382.98 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride is sourced from PubChem (CID 118728469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).