1-iodo-4-prop-2-enylpiperazine

C7H13IN2 — CID 129141031

IUPAC1-iodo-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(I)CC1
InChIInChI=1S/C7H13IN2/c1-2-3-9-4-6-10(8)7-5-9/h2H,1,3-7H2
InChIKeyTXPLJMRQGFWVBP-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.14
Rot. Bonds2

About 1-iodo-4-prop-2-enylpiperazine

1-iodo-4-prop-2-enylpiperazine (PubChem CID 129141031) has the molecular formula C7H13IN2 and a molecular weight of 252.10 g/mol. Its IUPAC name is 1-iodo-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-iodo-4-prop-2-enylpiperazine
PubChem CID129141031
Molecular FormulaC7H13IN2
Molecular Weight252.10 g/mol
Exact Mass252.01
IUPAC Name1-iodo-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(I)CC1
InChIInChI=1S/C7H13IN2/c1-2-3-9-4-6-10(8)7-5-9/h2H,1,3-7H2
InChIKeyTXPLJMRQGFWVBP-UHFFFAOYSA-N
XLogP1.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-prop-2-enylpiperazine?
The IUPAC name of 1-iodo-4-prop-2-enylpiperazine (CID 129141031) is 1-iodo-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-iodo-4-prop-2-enylpiperazine?
The canonical SMILES for 1-iodo-4-prop-2-enylpiperazine is C=CCN1CCN(I)CC1.
What is the InChIKey of 1-iodo-4-prop-2-enylpiperazine?
The InChIKey is TXPLJMRQGFWVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IN2/c1-2-3-9-4-6-10(8)7-5-9/h2H,1,3-7H2.
What are the key properties of 1-iodo-4-prop-2-enylpiperazine?
1-iodo-4-prop-2-enylpiperazine has a molecular weight of 252.10 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-prop-2-enylpiperazine is sourced from PubChem (CID 129141031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).