1,4-dichloro-2-methylpiperazine

C5H10Cl2N2 — CID 45099488

IUPAC1,4-dichloro-2-methylpiperazine
SMILESCC1CN(Cl)CCN1Cl
InChIInChI=1S/C5H10Cl2N2/c1-5-4-8(6)2-3-9(5)7/h5H,2-4H2,1H3
InChIKeySWDJPBGAZBDTCR-UHFFFAOYSA-N
MW169.05 g/mol
LogP1.30
Rot. Bonds

About 1,4-dichloro-2-methylpiperazine

1,4-dichloro-2-methylpiperazine (PubChem CID 45099488) has the molecular formula C5H10Cl2N2 and a molecular weight of 169.05 g/mol. Its IUPAC name is 1,4-dichloro-2-methylpiperazine.

Molecular Properties

Compound Name1,4-dichloro-2-methylpiperazine
PubChem CID45099488
Molecular FormulaC5H10Cl2N2
Molecular Weight169.05 g/mol
Exact Mass168.02
IUPAC Name1,4-dichloro-2-methylpiperazine
SMILESCC1CN(Cl)CCN1Cl
InChIInChI=1S/C5H10Cl2N2/c1-5-4-8(6)2-3-9(5)7/h5H,2-4H2,1H3
InChIKeySWDJPBGAZBDTCR-UHFFFAOYSA-N
XLogP1.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 51.30
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
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
(2R,5S)-1,4-dichloro-2,5-dimethylpiperazine
CID 129411829

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-methylpiperazine?
The IUPAC name of 1,4-dichloro-2-methylpiperazine (CID 45099488) is 1,4-dichloro-2-methylpiperazine.
What is the SMILES notation for 1,4-dichloro-2-methylpiperazine?
The canonical SMILES for 1,4-dichloro-2-methylpiperazine is CC1CN(Cl)CCN1Cl.
What is the InChIKey of 1,4-dichloro-2-methylpiperazine?
The InChIKey is SWDJPBGAZBDTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2N2/c1-5-4-8(6)2-3-9(5)7/h5H,2-4H2,1H3.
What are the key properties of 1,4-dichloro-2-methylpiperazine?
1,4-dichloro-2-methylpiperazine has a molecular weight of 169.05 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-methylpiperazine is sourced from PubChem (CID 45099488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).