2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide

C24H29BrClN3O2 — CID 24839637

IUPAC2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
SMILESBr.O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C24H28ClN3O2.BrH/c25-21-11-5-6-12-22(21)27-17-15-26(16-18-27)13-7-1-2-8-14-28-23(29)19-9-3-4-10-20(19)24(28)30;/h3-6,9-12H,1-2,7-8,13-18H2;1H
InChIKeyCLODUANLGYLWLV-UHFFFAOYSA-N
MW506.87 g/mol
LogP4.90
Rot. Bonds8

About 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide

2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide (PubChem CID 24839637) has the molecular formula C24H29BrClN3O2 and a molecular weight of 506.87 g/mol. Its IUPAC name is 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide.

Molecular Properties

Compound Name2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
PubChem CID24839637
Molecular FormulaC24H29BrClN3O2
Molecular Weight506.87 g/mol
Exact Mass505.11
IUPAC Name2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
SMILESBr.O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C24H28ClN3O2.BrH/c25-21-11-5-6-12-22(21)27-17-15-26(16-18-27)13-7-1-2-8-14-28-23(29)19-9-3-4-10-20(19)24(28)30;/h3-6,9-12H,1-2,7-8,13-18H2;1H
InChIKeyCLODUANLGYLWLV-UHFFFAOYSA-N
XLogP4.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.87
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 3088491
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one
CID 123755399
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492
2-[9-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]nonyl]isoindole-1,3-dione
CID 127053246
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione
CID 51357647
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-2-phenylindene-1,3-dione
CID 3039724
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5H-4,1-benzoxazepin-2-one
CID 169212751
2-[4-[4-(1-benzothiophen-3-yl)piperazin-1-yl]butyl]isoindole-1,3-dione;hydrochloride
CID 67836671

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide?
The IUPAC name of 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide (CID 24839637) is 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide.
What is the SMILES notation for 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide?
The canonical SMILES for 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide is Br.O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide?
The InChIKey is CLODUANLGYLWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2.BrH/c25-21-11-5-6-12-22(21)27-17-15-26(16-18-27)13-7-1-2-8-14-28-23(29)19-9-3-4-10-20(19)24(28)30;/h3-6,9-12H,1-2,7-8,13-18H2;1H.
What are the key properties of 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide?
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide has a molecular weight of 506.87 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide is sourced from PubChem (CID 24839637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).