1-(1-iodocyclobutyl)-2-methylpiperazine

C9H17IN2 — CID 68756890

IUPAC1-(1-iodocyclobutyl)-2-methylpiperazine
SMILESCC1CNCCN1C1(I)CCC1
InChIInChI=1S/C9H17IN2/c1-8-7-11-5-6-12(8)9(10)3-2-4-9/h8,11H,2-7H2,1H3
InChIKeyCLDCHGCNESBJMU-UHFFFAOYSA-N
MW280.15 g/mol
LogP1.60
Rot. Bonds1

About 1-(1-iodocyclobutyl)-2-methylpiperazine

1-(1-iodocyclobutyl)-2-methylpiperazine (PubChem CID 68756890) has the molecular formula C9H17IN2 and a molecular weight of 280.15 g/mol. Its IUPAC name is 1-(1-iodocyclobutyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(1-iodocyclobutyl)-2-methylpiperazine
PubChem CID68756890
Molecular FormulaC9H17IN2
Molecular Weight280.15 g/mol
Exact Mass280.04
IUPAC Name1-(1-iodocyclobutyl)-2-methylpiperazine
SMILESCC1CNCCN1C1(I)CCC1
InChIInChI=1S/C9H17IN2/c1-8-7-11-5-6-12(8)9(10)3-2-4-9/h8,11H,2-7H2,1H3
InChIKeyCLDCHGCNESBJMU-UHFFFAOYSA-N
XLogP1.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-iodocyclobutyl)-2-methylpiperazine?
The IUPAC name of 1-(1-iodocyclobutyl)-2-methylpiperazine (CID 68756890) is 1-(1-iodocyclobutyl)-2-methylpiperazine.
What is the SMILES notation for 1-(1-iodocyclobutyl)-2-methylpiperazine?
The canonical SMILES for 1-(1-iodocyclobutyl)-2-methylpiperazine is CC1CNCCN1C1(I)CCC1.
What is the InChIKey of 1-(1-iodocyclobutyl)-2-methylpiperazine?
The InChIKey is CLDCHGCNESBJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IN2/c1-8-7-11-5-6-12(8)9(10)3-2-4-9/h8,11H,2-7H2,1H3.
What are the key properties of 1-(1-iodocyclobutyl)-2-methylpiperazine?
1-(1-iodocyclobutyl)-2-methylpiperazine has a molecular weight of 280.15 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodocyclobutyl)-2-methylpiperazine is sourced from PubChem (CID 68756890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).