1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine

C12H26IN3O — CID 146274281

IUPAC1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine
SMILESCOC(C)(C)CC(C)(N)CN1CCN(I)CC1
InChIInChI=1S/C12H26IN3O/c1-11(2,17-4)9-12(3,14)10-15-5-7-16(13)8-6-15/h5-10,14H2,1-4H3
InChIKeyNODQUEUVYWVVKU-UHFFFAOYSA-N
MW355.26 g/mol
LogP1.49
Rot. Bonds5

About 1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine

1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine (PubChem CID 146274281) has the molecular formula C12H26IN3O and a molecular weight of 355.26 g/mol. Its IUPAC name is 1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine
PubChem CID146274281
Molecular FormulaC12H26IN3O
Molecular Weight355.26 g/mol
Exact Mass355.11
IUPAC Name1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine
SMILESCOC(C)(C)CC(C)(N)CN1CCN(I)CC1
InChIInChI=1S/C12H26IN3O/c1-11(2,17-4)9-12(3,14)10-15-5-7-16(13)8-6-15/h5-10,14H2,1-4H3
InChIKeyNODQUEUVYWVVKU-UHFFFAOYSA-N
XLogP1.49
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine?
The IUPAC name of 1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine (CID 146274281) is 1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine is COC(C)(C)CC(C)(N)CN1CCN(I)CC1.
What is the InChIKey of 1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine?
The InChIKey is NODQUEUVYWVVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26IN3O/c1-11(2,17-4)9-12(3,14)10-15-5-7-16(13)8-6-15/h5-10,14H2,1-4H3.
What are the key properties of 1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine?
1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine has a molecular weight of 355.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 146274281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).