(2R,5S)-1,4-dichloro-2,5-dimethylpiperazine

C6H12Cl2N2 — CID 129411829

IUPAC(2R,5S)-1,4-dichloro-2,5-dimethylpiperazine
SMILESC[C@@H]1CN(Cl)[C@@H](C)CN1Cl
InChIInChI=1S/C6H12Cl2N2/c1-5-3-10(8)6(2)4-9(5)7/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyIVRLPPGKJJZQJZ-OLQVQODUSA-N
MW183.08 g/mol
LogP1.69
Rot. Bonds

About (2R,5S)-1,4-dichloro-2,5-dimethylpiperazine

(2R,5S)-1,4-dichloro-2,5-dimethylpiperazine (PubChem CID 129411829) has the molecular formula C6H12Cl2N2 and a molecular weight of 183.08 g/mol. Its IUPAC name is (2R,5S)-1,4-dichloro-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2R,5S)-1,4-dichloro-2,5-dimethylpiperazine
PubChem CID129411829
Molecular FormulaC6H12Cl2N2
Molecular Weight183.08 g/mol
Exact Mass182.04
IUPAC Name(2R,5S)-1,4-dichloro-2,5-dimethylpiperazine
SMILESC[C@@H]1CN(Cl)[C@@H](C)CN1Cl
InChIInChI=1S/C6H12Cl2N2/c1-5-3-10(8)6(2)4-9(5)7/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyIVRLPPGKJJZQJZ-OLQVQODUSA-N
XLogP1.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethylpiperazin-4-ide;titanium(4+);trichloride
CID 22113646
1-Chloro-4-propylpiperazine
CID 118669898
1,3-Dimethylpiperazin-4-ide;trichlorotitanium(1+)
CID 140413667
1,2-Dimethylpiperazin-4-ide
CID 141994981
1,3,5-Trimethylpiperazin-4-ide
CID 142097716
(2R,5S)-2,5-dimethylpiperazine-1,4-diide
CID 168813699
1-Chloro-4-propan-2-ylpiperazine
CID 169943835
1,4-Dichloro-2-propylpiperazine
CID 175269651
1,4-Dichloro-2-methylpiperazine
CID 45099488
Piperazine, 1,4-dichloro-2,5-dimethyl-(6CI,7CI,8CI,9CI)
CID 85820968
(2S)-4-methanidyl-1,2-dimethylpiperazine
CID 88553482
(2R,5R)-1,4-dichloro-2,5-dimethylpiperazine
CID 129411828

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1,4-dichloro-2,5-dimethylpiperazine?
The IUPAC name of (2R,5S)-1,4-dichloro-2,5-dimethylpiperazine (CID 129411829) is (2R,5S)-1,4-dichloro-2,5-dimethylpiperazine.
What is the SMILES notation for (2R,5S)-1,4-dichloro-2,5-dimethylpiperazine?
The canonical SMILES for (2R,5S)-1,4-dichloro-2,5-dimethylpiperazine is C[C@@H]1CN(Cl)[C@@H](C)CN1Cl.
What is the InChIKey of (2R,5S)-1,4-dichloro-2,5-dimethylpiperazine?
The InChIKey is IVRLPPGKJJZQJZ-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12Cl2N2/c1-5-3-10(8)6(2)4-9(5)7/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (2R,5S)-1,4-dichloro-2,5-dimethylpiperazine?
(2R,5S)-1,4-dichloro-2,5-dimethylpiperazine has a molecular weight of 183.08 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1,4-dichloro-2,5-dimethylpiperazine is sourced from PubChem (CID 129411829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).