1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine

C13H30N4 — CID 145359851

IUPAC1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine
SMILESCN1CCN(C)CC1.C[C@H]1CN(C)CCN1C
InChIInChI=1S/C7H16N2.C6H14N2/c1-7-6-8(2)4-5-9(7)3;1-7-3-5-8(2)6-4-7/h7H,4-6H2,1-3H3;3-6H2,1-2H3/t7-;/m0./s1
InChIKeyVDFCWFAFHBUAIP-FJXQXJEOSA-N
MW242.41 g/mol
LogP0.12
Rot. Bonds

About 1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine

1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine (PubChem CID 145359851) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine
PubChem CID145359851
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC Name1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine
SMILESCN1CCN(C)CC1.C[C@H]1CN(C)CCN1C
InChIInChI=1S/C7H16N2.C6H14N2/c1-7-6-8(2)4-5-9(7)3;1-7-3-5-8(2)6-4-7/h7H,4-6H2,1-3H3;3-6H2,1-2H3/t7-;/m0./s1
InChIKeyVDFCWFAFHBUAIP-FJXQXJEOSA-N
XLogP0.12
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine
CID 455460
Piperazine, 1-(1-ethyl-4-piperidinyl)-4-methyl-(9CI)
CID 784238
1,4-Piperazinediethanamine, alpha,beta'-dimethyl-
CID 3086046
1-(3-Piperidin-1-ylbutan-2-yl)piperidine
CID 14615095
CID 16692484
CID 16692484
1-(2-Fluoroethyl)-4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine
CID 173067865
1-Methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 758244
Piperazine, 1-ethyl-4-(1-methyl-4-piperidinyl)-(9CI)
CID 784447
1,2-Bis-(4-methyl-piperazin-1-yl)-ethane
CID 22505885
1,4-Diethyl-2-methylpiperazine
CID 523221
2-Methyl-1,4-dipropylpiperazine
CID 20069547
1-Butan-2-yl-4-methylpiperazine
CID 20649690

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine?
The IUPAC name of 1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine (CID 145359851) is 1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine.
What is the SMILES notation for 1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine?
The canonical SMILES for 1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine is CN1CCN(C)CC1.C[C@H]1CN(C)CCN1C.
What is the InChIKey of 1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine?
The InChIKey is VDFCWFAFHBUAIP-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H16N2.C6H14N2/c1-7-6-8(2)4-5-9(7)3;1-7-3-5-8(2)6-4-7/h7H,4-6H2,1-3H3;3-6H2,1-2H3/t7-;/m0./s1.
What are the key properties of 1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine?
1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine has a molecular weight of 242.41 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine is sourced from PubChem (CID 145359851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).