1-ethyl-4-(2-iodopropan-2-yl)piperazine

C9H19IN2 — CID 163586506

IUPAC1-ethyl-4-(2-iodopropan-2-yl)piperazine
SMILESCCN1CCN(C(C)(C)I)CC1
InChIInChI=1S/C9H19IN2/c1-4-11-5-7-12(8-6-11)9(2,3)10/h4-8H2,1-3H3
InChIKeyGLYBVBCJVLLLPB-UHFFFAOYSA-N
MW282.17 g/mol
LogP1.79
Rot. Bonds2

About 1-ethyl-4-(2-iodopropan-2-yl)piperazine

1-ethyl-4-(2-iodopropan-2-yl)piperazine (PubChem CID 163586506) has the molecular formula C9H19IN2 and a molecular weight of 282.17 g/mol. Its IUPAC name is 1-ethyl-4-(2-iodopropan-2-yl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(2-iodopropan-2-yl)piperazine
PubChem CID163586506
Molecular FormulaC9H19IN2
Molecular Weight282.17 g/mol
Exact Mass282.06
IUPAC Name1-ethyl-4-(2-iodopropan-2-yl)piperazine
SMILESCCN1CCN(C(C)(C)I)CC1
InChIInChI=1S/C9H19IN2/c1-4-11-5-7-12(8-6-11)9(2,3)10/h4-8H2,1-3H3
InChIKeyGLYBVBCJVLLLPB-UHFFFAOYSA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 51.79
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-iodopropan-2-yl)piperazine?
The IUPAC name of 1-ethyl-4-(2-iodopropan-2-yl)piperazine (CID 163586506) is 1-ethyl-4-(2-iodopropan-2-yl)piperazine.
What is the SMILES notation for 1-ethyl-4-(2-iodopropan-2-yl)piperazine?
The canonical SMILES for 1-ethyl-4-(2-iodopropan-2-yl)piperazine is CCN1CCN(C(C)(C)I)CC1.
What is the InChIKey of 1-ethyl-4-(2-iodopropan-2-yl)piperazine?
The InChIKey is GLYBVBCJVLLLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19IN2/c1-4-11-5-7-12(8-6-11)9(2,3)10/h4-8H2,1-3H3.
What are the key properties of 1-ethyl-4-(2-iodopropan-2-yl)piperazine?
1-ethyl-4-(2-iodopropan-2-yl)piperazine has a molecular weight of 282.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-iodopropan-2-yl)piperazine is sourced from PubChem (CID 163586506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).