1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine

C14H20ClIN2 — CID 107640027

IUPAC1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine
SMILESCCC1CN(c2ccc(Cl)cc2I)C(CC)CN1
InChIInChI=1S/C14H20ClIN2/c1-3-11-9-18(12(4-2)8-17-11)14-6-5-10(15)7-13(14)16/h5-7,11-12,17H,3-4,8-9H2,1-2H3
InChIKeyNJGUWDYFJKBJTM-UHFFFAOYSA-N
MW378.69 g/mol
LogP3.91
Rot. Bonds3

About 1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine

1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine (PubChem CID 107640027) has the molecular formula C14H20ClIN2 and a molecular weight of 378.69 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine
PubChem CID107640027
Molecular FormulaC14H20ClIN2
Molecular Weight378.69 g/mol
Exact Mass378.04
IUPAC Name1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine
SMILESCCC1CN(c2ccc(Cl)cc2I)C(CC)CN1
InChIInChI=1S/C14H20ClIN2/c1-3-11-9-18(12(4-2)8-17-11)14-6-5-10(15)7-13(14)16/h5-7,11-12,17H,3-4,8-9H2,1-2H3
InChIKeyNJGUWDYFJKBJTM-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine
CID 107640020
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64933723
1-(5-chloro-2-methoxyphenyl)-2,5-diethylpiperazine
CID 64933713
1-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64941210
1-(2-chloro-4-nitrophenyl)-2,5-diethylpiperazine
CID 64979124
1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine
CID 107640012
1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64934860
1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
CID 64931944
2,5-diethyl-1-naphthalen-1-ylpiperazine
CID 64931957
2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine
CID 64979070
1-(3-chloro-2-nitrophenyl)-2,5-diethylpiperazine
CID 104839384
1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
CID 64934081

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine (CID 107640027) is 1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine is CCC1CN(c2ccc(Cl)cc2I)C(CC)CN1.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine?
The InChIKey is NJGUWDYFJKBJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClIN2/c1-3-11-9-18(12(4-2)8-17-11)14-6-5-10(15)7-13(14)16/h5-7,11-12,17H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine?
1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine has a molecular weight of 378.69 g/mol, XLogP of 3.91, 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-diethylpiperazine is sourced from PubChem (CID 107640027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).