1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine

C11H18N2 — CID 165399601

IUPAC1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine
SMILESC=C(C)C#CCN1CCN(C)CC1
InChIInChI=1S/C11H18N2/c1-11(2)5-4-6-13-9-7-12(3)8-10-13/h1,6-10H2,2-3H3
InChIKeyCHKWRUAZJNZVMU-UHFFFAOYSA-N
MW178.28 g/mol
LogP0.81
Rot. Bonds1

About 1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine

1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine (PubChem CID 165399601) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine
PubChem CID165399601
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine
SMILESC=C(C)C#CCN1CCN(C)CC1
InChIInChI=1S/C11H18N2/c1-11(2)5-4-6-13-9-7-12(3)8-10-13/h1,6-10H2,2-3H3
InChIKeyCHKWRUAZJNZVMU-UHFFFAOYSA-N
XLogP0.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine
CID 117269597
CID 59102100
CID 59102100
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile
CID 82892605
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-(4-but-2-ynylpiperazin-1-yl)sulfonyl-4-methylpiperazine
CID 71999965
2-(4-but-2-ynylpiperazin-1-yl)ethanol
CID 62310008
CID 91986678
CID 91986678
1-(2-ethenylbut-2-enyl)-4-methylpiperazine
CID 123509930
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
1-methyl-4-pent-3-ynylpiperazine
CID 126973229
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine?
The IUPAC name of 1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine (CID 165399601) is 1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine?
The canonical SMILES for 1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine is C=C(C)C#CCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine?
The InChIKey is CHKWRUAZJNZVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2)5-4-6-13-9-7-12(3)8-10-13/h1,6-10H2,2-3H3.
What are the key properties of 1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine?
1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine has a molecular weight of 178.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpent-4-en-2-ynyl)piperazine is sourced from PubChem (CID 165399601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).