7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride

C24H31ClN2 — CID 118728461

IUPAC7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride
SMILESCl.c1ccc(C2CC3(N4CCCC4)CCNC2C(c2ccccc2)C3)cc1
InChIInChI=1S/C24H30N2.ClH/c1-3-9-19(10-4-1)21-17-24(26-15-7-8-16-26)13-14-25-23(21)22(18-24)20-11-5-2-6-12-20;/h1-6,9-12,21-23,25H,7-8,13-18H2;1H
InChIKeySFPLBFFFMVIMKY-UHFFFAOYSA-N
MW382.98 g/mol
LogP4.97
Rot. Bonds3

About 7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride

7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride (PubChem CID 118728461) has the molecular formula C24H31ClN2 and a molecular weight of 382.98 g/mol. Its IUPAC name is 7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride.

Molecular Properties

Compound Name7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride
PubChem CID118728461
Molecular FormulaC24H31ClN2
Molecular Weight382.98 g/mol
Exact Mass382.22
IUPAC Name7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride
SMILESCl.c1ccc(C2CC3(N4CCCC4)CCNC2C(c2ccccc2)C3)cc1
InChIInChI=1S/C24H30N2.ClH/c1-3-9-19(10-4-1)21-17-24(26-15-7-8-16-26)13-14-25-23(21)22(18-24)20-11-5-2-6-12-20;/h1-6,9-12,21-23,25H,7-8,13-18H2;1H
InChIKeySFPLBFFFMVIMKY-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5S,7S,8S)-7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane
CID 56958056
(7S,8S)-7,8-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane
CID 44585576
1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine
CID 11256011
(2R,6R,7S)-6,7-diphenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol
CID 16726334
7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
CID 67037746
4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine
CID 67037319
N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine
CID 51347364
7-(4-nitrophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
CID 67037139
[(2S,6R,7R)-6,7-diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanyl] prop-2-enoate
CID 25266100
(2S)-1-phenyl-4-piperidin-1-ylbicyclo[2.2.2]octan-2-ol
CID 11644901
6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane
CID 51347216
6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane
CID 51347067

Frequently Asked Questions

What is the IUPAC name of 7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride?
The IUPAC name of 7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride (CID 118728461) is 7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride.
What is the SMILES notation for 7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride?
The canonical SMILES for 7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride is Cl.c1ccc(C2CC3(N4CCCC4)CCNC2C(c2ccccc2)C3)cc1.
What is the InChIKey of 7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride?
The InChIKey is SFPLBFFFMVIMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2.ClH/c1-3-9-19(10-4-1)21-17-24(26-15-7-8-16-26)13-14-25-23(21)22(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 7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride?
7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride has a molecular weight of 382.98 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride is sourced from PubChem (CID 118728461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).