ethoxy-(4-iodopiperazin-1-yl)methanol

C7H15IN2O2 — CID 167216764

IUPACethoxy-(4-iodopiperazin-1-yl)methanol
SMILESCCOC(O)N1CCN(I)CC1
InChIInChI=1S/C7H15IN2O2/c1-2-12-7(11)9-3-5-10(8)6-4-9/h7,11H,2-6H2,1H3
InChIKeyYZXVLQCZZTVNBL-UHFFFAOYSA-N
MW286.11 g/mol
LogP0.27
Rot. Bonds3

About ethoxy-(4-iodopiperazin-1-yl)methanol

ethoxy-(4-iodopiperazin-1-yl)methanol (PubChem CID 167216764) has the molecular formula C7H15IN2O2 and a molecular weight of 286.11 g/mol. Its IUPAC name is ethoxy-(4-iodopiperazin-1-yl)methanol.

Molecular Properties

Compound Nameethoxy-(4-iodopiperazin-1-yl)methanol
PubChem CID167216764
Molecular FormulaC7H15IN2O2
Molecular Weight286.11 g/mol
Exact Mass286.02
IUPAC Nameethoxy-(4-iodopiperazin-1-yl)methanol
SMILESCCOC(O)N1CCN(I)CC1
InChIInChI=1S/C7H15IN2O2/c1-2-12-7(11)9-3-5-10(8)6-4-9/h7,11H,2-6H2,1H3
InChIKeyYZXVLQCZZTVNBL-UHFFFAOYSA-N
XLogP0.27
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-(4-iodopiperazin-1-yl)methanol?
The IUPAC name of ethoxy-(4-iodopiperazin-1-yl)methanol (CID 167216764) is ethoxy-(4-iodopiperazin-1-yl)methanol.
What is the SMILES notation for ethoxy-(4-iodopiperazin-1-yl)methanol?
The canonical SMILES for ethoxy-(4-iodopiperazin-1-yl)methanol is CCOC(O)N1CCN(I)CC1.
What is the InChIKey of ethoxy-(4-iodopiperazin-1-yl)methanol?
The InChIKey is YZXVLQCZZTVNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2O2/c1-2-12-7(11)9-3-5-10(8)6-4-9/h7,11H,2-6H2,1H3.
What are the key properties of ethoxy-(4-iodopiperazin-1-yl)methanol?
ethoxy-(4-iodopiperazin-1-yl)methanol has a molecular weight of 286.11 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(4-iodopiperazin-1-yl)methanol is sourced from PubChem (CID 167216764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).