1-(3-methyliodanuidyloxypropyl)piperidine

C9H19INO- — CID 162683920

IUPAC1-(3-methyliodanuidyloxypropyl)piperidine
SMILESC[I-]OCCCN1CCCCC1
InChIInChI=1S/C9H19INO/c1-10-12-9-5-8-11-6-3-2-4-7-11/h2-9H2,1H3/q-1
InChIKeyHHNMEGZGRMBNJR-UHFFFAOYSA-N
MW284.16 g/mol
LogP-1.49
Rot. Bonds5

About 1-(3-methyliodanuidyloxypropyl)piperidine

1-(3-methyliodanuidyloxypropyl)piperidine (PubChem CID 162683920) has the molecular formula C9H19INO- and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(3-methyliodanuidyloxypropyl)piperidine.

Molecular Properties

Compound Name1-(3-methyliodanuidyloxypropyl)piperidine
PubChem CID162683920
Molecular FormulaC9H19INO-
Molecular Weight284.16 g/mol
Exact Mass284.05
IUPAC Name1-(3-methyliodanuidyloxypropyl)piperidine
SMILESC[I-]OCCCN1CCCCC1
InChIInChI=1S/C9H19INO/c1-10-12-9-5-8-11-6-3-2-4-7-11/h2-9H2,1H3/q-1
InChIKeyHHNMEGZGRMBNJR-UHFFFAOYSA-N
XLogP-1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(3-methyliodanuidyloxypropyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyliodanuidyloxypropyl)piperidine?
The IUPAC name of 1-(3-methyliodanuidyloxypropyl)piperidine (CID 162683920) is 1-(3-methyliodanuidyloxypropyl)piperidine.
What is the SMILES notation for 1-(3-methyliodanuidyloxypropyl)piperidine?
The canonical SMILES for 1-(3-methyliodanuidyloxypropyl)piperidine is C[I-]OCCCN1CCCCC1.
What is the InChIKey of 1-(3-methyliodanuidyloxypropyl)piperidine?
The InChIKey is HHNMEGZGRMBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19INO/c1-10-12-9-5-8-11-6-3-2-4-7-11/h2-9H2,1H3/q-1.
What are the key properties of 1-(3-methyliodanuidyloxypropyl)piperidine?
1-(3-methyliodanuidyloxypropyl)piperidine has a molecular weight of 284.16 g/mol, XLogP of -1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyliodanuidyloxypropyl)piperidine is sourced from PubChem (CID 162683920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).