1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine

C15H22ClIN2 — CID 107640012

IUPAC1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1ccc(Cl)cc1I
InChIInChI=1S/C15H22ClIN2/c1-4-12-9-18-15(3,5-2)10-19(12)14-7-6-11(16)8-13(14)17/h6-8,12,18H,4-5,9-10H2,1-3H3
InChIKeyMNVNRVRZDBNRMG-UHFFFAOYSA-N
MW392.71 g/mol
LogP4.30
Rot. Bonds3

About 1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine

1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine (PubChem CID 107640012) has the molecular formula C15H22ClIN2 and a molecular weight of 392.71 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine
PubChem CID107640012
Molecular FormulaC15H22ClIN2
Molecular Weight392.71 g/mol
Exact Mass392.05
IUPAC Name1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1ccc(Cl)cc1I
InChIInChI=1S/C15H22ClIN2/c1-4-12-9-18-15(3,5-2)10-19(12)14-7-6-11(16)8-13(14)17/h6-8,12,18H,4-5,9-10H2,1-3H3
InChIKeyMNVNRVRZDBNRMG-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.71
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine 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

1-(2,5-dichlorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64935058
1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64934524
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64931265
5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64934102
1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine
CID 107640027
1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933561
1-(2,5-dibromophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933819
1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64934161
1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine
CID 64934365
1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
CID 64934480
5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine
CID 107640020

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine (CID 107640012) is 1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine is CCC1CNC(C)(CC)CN1c1ccc(Cl)cc1I.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine?
The InChIKey is MNVNRVRZDBNRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClIN2/c1-4-12-9-18-15(3,5-2)10-19(12)14-7-6-11(16)8-13(14)17/h6-8,12,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine?
1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine has a molecular weight of 392.71 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine is sourced from PubChem (CID 107640012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).