(2S)-1-iodo-2,4-dimethylpiperazine

C6H13IN2 — CID 139406604

IUPAC(2S)-1-iodo-2,4-dimethylpiperazine
SMILESC[C@H]1CN(C)CCN1I
InChIInChI=1S/C6H13IN2/c1-6-5-8(2)3-4-9(6)7/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyVEFYDMWEPPAPKH-LURJTMIESA-N
MW240.09 g/mol
LogP0.97
Rot. Bonds

About (2S)-1-iodo-2,4-dimethylpiperazine

(2S)-1-iodo-2,4-dimethylpiperazine (PubChem CID 139406604) has the molecular formula C6H13IN2 and a molecular weight of 240.09 g/mol. Its IUPAC name is (2S)-1-iodo-2,4-dimethylpiperazine.

Molecular Properties

Compound Name(2S)-1-iodo-2,4-dimethylpiperazine
PubChem CID139406604
Molecular FormulaC6H13IN2
Molecular Weight240.09 g/mol
Exact Mass240.01
IUPAC Name(2S)-1-iodo-2,4-dimethylpiperazine
SMILESC[C@H]1CN(C)CCN1I
InChIInChI=1S/C6H13IN2/c1-6-5-8(2)3-4-9(6)7/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyVEFYDMWEPPAPKH-LURJTMIESA-N
XLogP0.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 50.97
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 (2S)-1-iodo-2,4-dimethylpiperazine?
The IUPAC name of (2S)-1-iodo-2,4-dimethylpiperazine (CID 139406604) is (2S)-1-iodo-2,4-dimethylpiperazine.
What is the SMILES notation for (2S)-1-iodo-2,4-dimethylpiperazine?
The canonical SMILES for (2S)-1-iodo-2,4-dimethylpiperazine is C[C@H]1CN(C)CCN1I.
What is the InChIKey of (2S)-1-iodo-2,4-dimethylpiperazine?
The InChIKey is VEFYDMWEPPAPKH-LURJTMIESA-N. The full InChI is InChI=1S/C6H13IN2/c1-6-5-8(2)3-4-9(6)7/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-iodo-2,4-dimethylpiperazine?
(2S)-1-iodo-2,4-dimethylpiperazine has a molecular weight of 240.09 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-iodo-2,4-dimethylpiperazine is sourced from PubChem (CID 139406604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).