1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine

C13H24N4 — CID 117269597

IUPAC1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine
SMILESCN1CCN(CC#CCN2CCNCC2)CC1
InChIInChI=1S/C13H24N4/c1-15-10-12-17(13-11-15)7-3-2-6-16-8-4-14-5-9-16/h14H,4-13H2,1H3
InChIKeyLENXHDLWRUZLEH-UHFFFAOYSA-N
MW236.36 g/mol
LogP-0.86
Rot. Bonds2

About 1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine

1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine (PubChem CID 117269597) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine
PubChem CID117269597
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine
SMILESCN1CCN(CC#CCN2CCNCC2)CC1
InChIInChI=1S/C13H24N4/c1-15-10-12-17(13-11-15)7-3-2-6-16-8-4-14-5-9-16/h14H,4-13H2,1H3
InChIKeyLENXHDLWRUZLEH-UHFFFAOYSA-N
XLogP-0.86
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxybut-2-ynyl)piperazine
CID 117269600
1-(5,5-dimethylhex-2-ynyl)piperazine
CID 117269584
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-(5-propoxypent-2-ynyl)piperazine
CID 156867220
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
ethane;1-methylpiperazine
CID 91350928
alumane;1-methylpiperazine
CID 173336720
1-methylpiperazine;dihydrochloride
CID 2734715
1-methylpiperazine;hydrate
CID 23128681
1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine
CID 165399601
methyl 4-piperazin-1-ylbut-2-ynoate
CID 115016129
dichloromethane;1-methylpiperazine
CID 86740651

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine?
The IUPAC name of 1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine (CID 117269597) is 1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine?
The canonical SMILES for 1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine is CN1CCN(CC#CCN2CCNCC2)CC1.
What is the InChIKey of 1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine?
The InChIKey is LENXHDLWRUZLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-15-10-12-17(13-11-15)7-3-2-6-16-8-4-14-5-9-16/h14H,4-13H2,1H3.
What are the key properties of 1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine?
1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine has a molecular weight of 236.36 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine is sourced from PubChem (CID 117269597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).