3-methyl-1-(2-methylprop-2-enyl)piperazine

C9H18N2 — CID 65449780

IUPAC3-methyl-1-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CCNC(C)C1
InChIInChI=1S/C9H18N2/c1-8(2)6-11-5-4-10-9(3)7-11/h9-10H,1,4-7H2,2-3H3
InChIKeyTZXUPPLSVBSCTC-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds2

About 3-methyl-1-(2-methylprop-2-enyl)piperazine

3-methyl-1-(2-methylprop-2-enyl)piperazine (PubChem CID 65449780) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-methyl-1-(2-methylprop-2-enyl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(2-methylprop-2-enyl)piperazine
PubChem CID65449780
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-methyl-1-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CCNC(C)C1
InChIInChI=1S/C9H18N2/c1-8(2)6-11-5-4-10-9(3)7-11/h9-10H,1,4-7H2,2-3H3
InChIKeyTZXUPPLSVBSCTC-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
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 3-methyl-1-(2-methylprop-2-enyl)piperazine?
The IUPAC name of 3-methyl-1-(2-methylprop-2-enyl)piperazine (CID 65449780) is 3-methyl-1-(2-methylprop-2-enyl)piperazine.
What is the SMILES notation for 3-methyl-1-(2-methylprop-2-enyl)piperazine?
The canonical SMILES for 3-methyl-1-(2-methylprop-2-enyl)piperazine is C=C(C)CN1CCNC(C)C1.
What is the InChIKey of 3-methyl-1-(2-methylprop-2-enyl)piperazine?
The InChIKey is TZXUPPLSVBSCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)6-11-5-4-10-9(3)7-11/h9-10H,1,4-7H2,2-3H3.
What are the key properties of 3-methyl-1-(2-methylprop-2-enyl)piperazine?
3-methyl-1-(2-methylprop-2-enyl)piperazine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylprop-2-enyl)piperazine is sourced from PubChem (CID 65449780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).