6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane

C28H35Cl2N3 — CID 67042022

IUPAC6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane
SMILESClc1ccccc1C1CCCN1C1CC2CNCC1C(N1CCCC1c1ccccc1Cl)C2
InChIInChI=1S/C28H35Cl2N3/c29-23-9-3-1-7-20(23)25-11-5-13-32(25)27-15-19-16-28(22(27)18-31-17-19)33-14-6-12-26(33)21-8-2-4-10-24(21)30/h1-4,7-10,19,22,25-28,31H,5-6,11-18H2
InChIKeyPLVGZFMJWYQYRS-UHFFFAOYSA-N
MW484.52 g/mol
LogP6.33
Rot. Bonds4

About 6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane

6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane (PubChem CID 67042022) has the molecular formula C28H35Cl2N3 and a molecular weight of 484.52 g/mol. Its IUPAC name is 6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane
PubChem CID67042022
Molecular FormulaC28H35Cl2N3
Molecular Weight484.52 g/mol
Exact Mass483.22
IUPAC Name6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane
SMILESClc1ccccc1C1CCCN1C1CC2CNCC1C(N1CCCC1c1ccccc1Cl)C2
InChIInChI=1S/C28H35Cl2N3/c29-23-9-3-1-7-20(23)25-11-5-13-32(25)27-15-19-16-28(22(27)18-31-17-19)33-14-6-12-26(33)21-8-2-4-10-24(21)30/h1-4,7-10,19,22,25-28,31H,5-6,11-18H2
InChIKeyPLVGZFMJWYQYRS-UHFFFAOYSA-N
XLogP6.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane 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

azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678082
2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine
CID 166157768
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 60947717
[2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61164921
1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51856008
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
(2R)-2-(2-chlorophenyl)-1-phenyl-1,4-diazepane
CID 124565905
3-(2-chlorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 4647171
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 102726652

Frequently Asked Questions

What is the IUPAC name of 6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane?
The IUPAC name of 6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane (CID 67042022) is 6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane?
The canonical SMILES for 6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane is Clc1ccccc1C1CCCN1C1CC2CNCC1C(N1CCCC1c1ccccc1Cl)C2.
What is the InChIKey of 6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane?
The InChIKey is PLVGZFMJWYQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35Cl2N3/c29-23-9-3-1-7-20(23)25-11-5-13-32(25)27-15-19-16-28(22(27)18-31-17-19)33-14-6-12-26(33)21-8-2-4-10-24(21)30/h1-4,7-10,19,22,25-28,31H,5-6,11-18H2.
What are the key properties of 6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane?
6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane has a molecular weight of 484.52 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-bis[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 67042022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).