1,3-dimethylpiperazine;piperazine;hydrochloride

C10H25ClN4 — CID 174960389

IUPAC1,3-dimethylpiperazine;piperazine;hydrochloride
SMILESC1CNCCN1.CC1CN(C)CCN1.Cl
InChIInChI=1S/C6H14N2.C4H10N2.ClH/c1-6-5-8(2)4-3-7-6;1-2-6-4-3-5-1;/h6-7H,3-5H2,1-2H3;5-6H,1-4H2;1H
InChIKeyFFZUKJULBYGERO-UHFFFAOYSA-N
MW236.79 g/mol
LogP-0.49
Rot. Bonds

About 1,3-dimethylpiperazine;piperazine;hydrochloride

1,3-dimethylpiperazine;piperazine;hydrochloride (PubChem CID 174960389) has the molecular formula C10H25ClN4 and a molecular weight of 236.79 g/mol. Its IUPAC name is 1,3-dimethylpiperazine;piperazine;hydrochloride.

Molecular Properties

Compound Name1,3-dimethylpiperazine;piperazine;hydrochloride
PubChem CID174960389
Molecular FormulaC10H25ClN4
Molecular Weight236.79 g/mol
Exact Mass236.18
IUPAC Name1,3-dimethylpiperazine;piperazine;hydrochloride
SMILESC1CNCCN1.CC1CN(C)CCN1.Cl
InChIInChI=1S/C6H14N2.C4H10N2.ClH/c1-6-5-8(2)4-3-7-6;1-2-6-4-3-5-1;/h6-7H,3-5H2,1-2H3;5-6H,1-4H2;1H
InChIKeyFFZUKJULBYGERO-UHFFFAOYSA-N
XLogP-0.49
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1,3-dimethylpiperazine;ethane
CID 143846249
1,3-dimethylpiperazine;ethane
CID 167500512
(3R)-1,3-dimethylpiperazine;molecular hydrogen
CID 145424168
(3R)-3-methyl-1-(trideuteriomethyl)piperazine
CID 165429760
(5S)-1,5-dimethyl-1,4-diazepane
CID 93492381
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
1-methylpiperazine;dihydrochloride
CID 2734715
[(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 166607150
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
(3R,5R)-1,3,5-trimethylpiperazine;hydrochloride
CID 167526507
manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
CID 67603621
alumane;1-methylpiperazine
CID 173336720

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperazine;piperazine;hydrochloride?
The IUPAC name of 1,3-dimethylpiperazine;piperazine;hydrochloride (CID 174960389) is 1,3-dimethylpiperazine;piperazine;hydrochloride.
What is the SMILES notation for 1,3-dimethylpiperazine;piperazine;hydrochloride?
The canonical SMILES for 1,3-dimethylpiperazine;piperazine;hydrochloride is C1CNCCN1.CC1CN(C)CCN1.Cl.
What is the InChIKey of 1,3-dimethylpiperazine;piperazine;hydrochloride?
The InChIKey is FFZUKJULBYGERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C4H10N2.ClH/c1-6-5-8(2)4-3-7-6;1-2-6-4-3-5-1;/h6-7H,3-5H2,1-2H3;5-6H,1-4H2;1H.
What are the key properties of 1,3-dimethylpiperazine;piperazine;hydrochloride?
1,3-dimethylpiperazine;piperazine;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of -0.49, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperazine;piperazine;hydrochloride is sourced from PubChem (CID 174960389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).