1-methyl-4-(2-methylprop-2-enyl)piperazine;propane

C12H26N2 — CID 171515075

IUPAC1-methyl-4-(2-methylprop-2-enyl)piperazine;propane
SMILESC=C(C)CN1CCN(C)CC1.CCC
InChIInChI=1S/C9H18N2.C3H8/c1-9(2)8-11-6-4-10(3)5-7-11;1-3-2/h1,4-8H2,2-3H3;3H2,1-2H3
InChIKeyQYEZKLHSURIWHR-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds2

About 1-methyl-4-(2-methylprop-2-enyl)piperazine;propane

1-methyl-4-(2-methylprop-2-enyl)piperazine;propane (PubChem CID 171515075) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-methyl-4-(2-methylprop-2-enyl)piperazine;propane.

Molecular Properties

Compound Name1-methyl-4-(2-methylprop-2-enyl)piperazine;propane
PubChem CID171515075
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-methyl-4-(2-methylprop-2-enyl)piperazine;propane
SMILESC=C(C)CN1CCN(C)CC1.CCC
InChIInChI=1S/C9H18N2.C3H8/c1-9(2)8-11-6-4-10(3)5-7-11;1-3-2/h1,4-8H2,2-3H3;3H2,1-2H3
InChIKeyQYEZKLHSURIWHR-UHFFFAOYSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylprop-2-enyl)piperazine;propane?
The IUPAC name of 1-methyl-4-(2-methylprop-2-enyl)piperazine;propane (CID 171515075) is 1-methyl-4-(2-methylprop-2-enyl)piperazine;propane.
What is the SMILES notation for 1-methyl-4-(2-methylprop-2-enyl)piperazine;propane?
The canonical SMILES for 1-methyl-4-(2-methylprop-2-enyl)piperazine;propane is C=C(C)CN1CCN(C)CC1.CCC.
What is the InChIKey of 1-methyl-4-(2-methylprop-2-enyl)piperazine;propane?
The InChIKey is QYEZKLHSURIWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C3H8/c1-9(2)8-11-6-4-10(3)5-7-11;1-3-2/h1,4-8H2,2-3H3;3H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylprop-2-enyl)piperazine;propane?
1-methyl-4-(2-methylprop-2-enyl)piperazine;propane has a molecular weight of 198.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylprop-2-enyl)piperazine;propane is sourced from PubChem (CID 171515075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).