2-(4-iodopiperazin-1-yl)ethanamine

C6H14IN3 — CID 89179522

IUPAC2-(4-iodopiperazin-1-yl)ethanamine
SMILESNCCN1CCN(I)CC1
InChIInChI=1S/C6H14IN3/c7-10-5-3-9(2-1-8)4-6-10/h1-6,8H2
InChIKeyYEXSFNHXLZYQIN-UHFFFAOYSA-N
MW255.10 g/mol
LogP-0.09
Rot. Bonds2

About 2-(4-iodopiperazin-1-yl)ethanamine

2-(4-iodopiperazin-1-yl)ethanamine (PubChem CID 89179522) has the molecular formula C6H14IN3 and a molecular weight of 255.10 g/mol. Its IUPAC name is 2-(4-iodopiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-iodopiperazin-1-yl)ethanamine
PubChem CID89179522
Molecular FormulaC6H14IN3
Molecular Weight255.10 g/mol
Exact Mass255.02
IUPAC Name2-(4-iodopiperazin-1-yl)ethanamine
SMILESNCCN1CCN(I)CC1
InChIInChI=1S/C6H14IN3/c7-10-5-3-9(2-1-8)4-6-10/h1-6,8H2
InChIKeyYEXSFNHXLZYQIN-UHFFFAOYSA-N
XLogP-0.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
CID 80698853
2-(aziridin-1-yl)ethanamine;dichloronickel
CID 15821369
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
CID 167741748
methane;2-piperidin-1-ylethanamine
CID 158303452
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012
2-[4-(methoxymethyl)piperazin-1-yl]ethanamine
CID 176691327
[4-(2-aminoethyl)piperazin-1-yl]methanone
CID 163757589
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
1-iodo-4-(3-methylbutyl)piperazine
CID 166948884
2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine;2-[4-(cyanomethyl)piperazin-1-yl]acetonitrile
CID 157308516
2-(4-but-3-ynylpiperazin-1-yl)ethanamine
CID 170918250

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodopiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-iodopiperazin-1-yl)ethanamine (CID 89179522) is 2-(4-iodopiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-iodopiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-iodopiperazin-1-yl)ethanamine is NCCN1CCN(I)CC1.
What is the InChIKey of 2-(4-iodopiperazin-1-yl)ethanamine?
The InChIKey is YEXSFNHXLZYQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14IN3/c7-10-5-3-9(2-1-8)4-6-10/h1-6,8H2.
What are the key properties of 2-(4-iodopiperazin-1-yl)ethanamine?
2-(4-iodopiperazin-1-yl)ethanamine has a molecular weight of 255.10 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodopiperazin-1-yl)ethanamine is sourced from PubChem (CID 89179522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).