1-(2-iodoethyl)-4-methylpiperazine

C7H15IN2 — CID 67574455

IUPAC1-(2-iodoethyl)-4-methylpiperazine
SMILESCN1CCN(CCI)CC1
InChIInChI=1S/C7H15IN2/c1-9-4-6-10(3-2-8)7-5-9/h2-7H2,1H3
InChIKeyZFCMNRWZKLLXGB-UHFFFAOYSA-N
MW254.11 g/mol
LogP0.67
Rot. Bonds2

About 1-(2-iodoethyl)-4-methylpiperazine

1-(2-iodoethyl)-4-methylpiperazine (PubChem CID 67574455) has the molecular formula C7H15IN2 and a molecular weight of 254.11 g/mol. Its IUPAC name is 1-(2-iodoethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-iodoethyl)-4-methylpiperazine
PubChem CID67574455
Molecular FormulaC7H15IN2
Molecular Weight254.11 g/mol
Exact Mass254.03
IUPAC Name1-(2-iodoethyl)-4-methylpiperazine
SMILESCN1CCN(CCI)CC1
InChIInChI=1S/C7H15IN2/c1-9-4-6-10(3-2-8)7-5-9/h2-7H2,1H3
InChIKeyZFCMNRWZKLLXGB-UHFFFAOYSA-N
XLogP0.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine
CID 122495026
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
2-(4-methylpiperazin-1-yl)ethyl hypoiodite
CID 139514479
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
CID 59102100
CID 59102100
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
CID 145236948

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodoethyl)-4-methylpiperazine?
The IUPAC name of 1-(2-iodoethyl)-4-methylpiperazine (CID 67574455) is 1-(2-iodoethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-iodoethyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-iodoethyl)-4-methylpiperazine is CN1CCN(CCI)CC1.
What is the InChIKey of 1-(2-iodoethyl)-4-methylpiperazine?
The InChIKey is ZFCMNRWZKLLXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2/c1-9-4-6-10(3-2-8)7-5-9/h2-7H2,1H3.
What are the key properties of 1-(2-iodoethyl)-4-methylpiperazine?
1-(2-iodoethyl)-4-methylpiperazine has a molecular weight of 254.11 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodoethyl)-4-methylpiperazine is sourced from PubChem (CID 67574455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).