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

C6H13IN2 — CID 130224355

IUPAC(2R)-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-/m1/s1
InChIKeyVEFYDMWEPPAPKH-ZCFIWIBFSA-N
MW240.09 g/mol
LogP0.97
Rot. Bonds

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

(2R)-1-iodo-2,4-dimethylpiperazine (PubChem CID 130224355) has the molecular formula C6H13IN2 and a molecular weight of 240.09 g/mol. Its IUPAC name is (2R)-1-iodo-2,4-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-1-iodo-2,4-dimethylpiperazine
PubChem CID130224355
Molecular FormulaC6H13IN2
Molecular Weight240.09 g/mol
Exact Mass240.01
IUPAC Name(2R)-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-/m1/s1
InChIKeyVEFYDMWEPPAPKH-ZCFIWIBFSA-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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Related Compounds

(2S)-1-iodo-2,4-dimethylpiperazine
CID 139406604
1-iodo-2-methylaziridine
CID 139722499
1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine
CID 145359851
ethane;(2S)-1,2,4-trimethylpiperazine
CID 90960926
1,4-dimethylpiperazine;1,2,4,6-tetramethylpiperazine
CID 145359849
ethane;(2S)-1-hydroxy-2,4-dimethylpiperazine
CID 142979324
1-(3-iodopropyl)-2,4-dimethylpiperazine
CID 126995640
2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 66568123
ethane;(2R)-1,2,4-trimethyl-1,4-diazepane
CID 142347964
1,2,4,6-tetramethylpiperazine
CID 22088083
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
(2S)-2,4-dimethyl-1-(2-methylpropyl)piperazine
CID 171515421

Frequently Asked Questions

What is the IUPAC name of (2R)-1-iodo-2,4-dimethylpiperazine?
The IUPAC name of (2R)-1-iodo-2,4-dimethylpiperazine (CID 130224355) is (2R)-1-iodo-2,4-dimethylpiperazine.
What is the SMILES notation for (2R)-1-iodo-2,4-dimethylpiperazine?
The canonical SMILES for (2R)-1-iodo-2,4-dimethylpiperazine is C[C@@H]1CN(C)CCN1I.
What is the InChIKey of (2R)-1-iodo-2,4-dimethylpiperazine?
The InChIKey is VEFYDMWEPPAPKH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13IN2/c1-6-5-8(2)3-4-9(6)7/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-1-iodo-2,4-dimethylpiperazine?
(2R)-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 (2R)-1-iodo-2,4-dimethylpiperazine is sourced from PubChem (CID 130224355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).