2,6-dimethylpiperazine;iodomethane

C7H17IN2 — CID 177002631

IUPAC2,6-dimethylpiperazine;iodomethane
SMILESCC1CNCC(C)N1.CI
InChIInChI=1S/C6H14N2.CH3I/c1-5-3-7-4-6(2)8-5;1-2/h5-8H,3-4H2,1-2H3;1H3
InChIKeyFXAQBSRSLMNFOJ-UHFFFAOYSA-N
MW256.13 g/mol
LogP1.01
Rot. Bonds

About 2,6-dimethylpiperazine;iodomethane

2,6-dimethylpiperazine;iodomethane (PubChem CID 177002631) has the molecular formula C7H17IN2 and a molecular weight of 256.13 g/mol. Its IUPAC name is 2,6-dimethylpiperazine;iodomethane.

Molecular Properties

Compound Name2,6-dimethylpiperazine;iodomethane
PubChem CID177002631
Molecular FormulaC7H17IN2
Molecular Weight256.13 g/mol
Exact Mass256.04
IUPAC Name2,6-dimethylpiperazine;iodomethane
SMILESCC1CNCC(C)N1.CI
InChIInChI=1S/C6H14N2.CH3I/c1-5-3-7-4-6(2)8-5;1-2/h5-8H,3-4H2,1-2H3;1H3
InChIKeyFXAQBSRSLMNFOJ-UHFFFAOYSA-N
XLogP1.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylpiperazine;phosphoric acid
CID 175277690
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CID 134277914
(2R,6S)-2-cyclopropyl-6-methylpiperazine
CID 134446331
[(2R,6R)-6-methylpiperazin-2-yl]methanol
CID 146306061
2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine;2,6-dimethylpiperazine
CID 161349261
(2S,4S)-2,4-dimethylazetidine;hydrochloride
CID 135392273
ethane;3-methylazetidine
CID 90730870
2,6-dimethylpiperazin-4-ium
CID 75740716
(3R,5R)-3,5-dimethylthiomorpholine
CID 13077511
3-bromoprop-1-yne;(2R,6S)-2,6-dimethylpiperazine;(3S,5R)-3,5-dimethyl-1-prop-2-ynylpiperazine
CID 159387415
tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine
CID 162156200
(2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine
CID 23279569

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpiperazine;iodomethane?
The IUPAC name of 2,6-dimethylpiperazine;iodomethane (CID 177002631) is 2,6-dimethylpiperazine;iodomethane.
What is the SMILES notation for 2,6-dimethylpiperazine;iodomethane?
The canonical SMILES for 2,6-dimethylpiperazine;iodomethane is CC1CNCC(C)N1.CI.
What is the InChIKey of 2,6-dimethylpiperazine;iodomethane?
The InChIKey is FXAQBSRSLMNFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.CH3I/c1-5-3-7-4-6(2)8-5;1-2/h5-8H,3-4H2,1-2H3;1H3.
What are the key properties of 2,6-dimethylpiperazine;iodomethane?
2,6-dimethylpiperazine;iodomethane has a molecular weight of 256.13 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpiperazine;iodomethane is sourced from PubChem (CID 177002631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).