1-iodoiodanuidyl-4-propan-2-yloxypiperidine

C8H16I2NO- — CID 176580793

IUPAC1-iodoiodanuidyl-4-propan-2-yloxypiperidine
SMILESCC(C)OC1CCN([I-]I)CC1
InChIInChI=1S/C8H16I2NO/c1-7(2)12-8-3-5-11(10-9)6-4-8/h7-8H,3-6H2,1-2H3/q-1
InChIKeyBQYMVUBCVCTIDN-UHFFFAOYSA-N
MW396.03 g/mol
LogP-0.77
Rot. Bonds3

About 1-iodoiodanuidyl-4-propan-2-yloxypiperidine

1-iodoiodanuidyl-4-propan-2-yloxypiperidine (PubChem CID 176580793) has the molecular formula C8H16I2NO- and a molecular weight of 396.03 g/mol. Its IUPAC name is 1-iodoiodanuidyl-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name1-iodoiodanuidyl-4-propan-2-yloxypiperidine
PubChem CID176580793
Molecular FormulaC8H16I2NO-
Molecular Weight396.03 g/mol
Exact Mass395.93
IUPAC Name1-iodoiodanuidyl-4-propan-2-yloxypiperidine
SMILESCC(C)OC1CCN([I-]I)CC1
InChIInChI=1S/C8H16I2NO/c1-7(2)12-8-3-5-11(10-9)6-4-8/h7-8H,3-6H2,1-2H3/q-1
InChIKeyBQYMVUBCVCTIDN-UHFFFAOYSA-N
XLogP-0.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.03
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-iodoiodanuidyl-4-propan-2-yloxypiperidine?
The IUPAC name of 1-iodoiodanuidyl-4-propan-2-yloxypiperidine (CID 176580793) is 1-iodoiodanuidyl-4-propan-2-yloxypiperidine.
What is the SMILES notation for 1-iodoiodanuidyl-4-propan-2-yloxypiperidine?
The canonical SMILES for 1-iodoiodanuidyl-4-propan-2-yloxypiperidine is CC(C)OC1CCN([I-]I)CC1.
What is the InChIKey of 1-iodoiodanuidyl-4-propan-2-yloxypiperidine?
The InChIKey is BQYMVUBCVCTIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16I2NO/c1-7(2)12-8-3-5-11(10-9)6-4-8/h7-8H,3-6H2,1-2H3/q-1.
What are the key properties of 1-iodoiodanuidyl-4-propan-2-yloxypiperidine?
1-iodoiodanuidyl-4-propan-2-yloxypiperidine has a molecular weight of 396.03 g/mol, XLogP of -0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoiodanuidyl-4-propan-2-yloxypiperidine is sourced from PubChem (CID 176580793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).