1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine

C10H20N2 — CID 870777

IUPAC1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine
SMILESC/C=C(\C)CN1CCN(C)CC1
InChIInChI=1S/C10H20N2/c1-4-10(2)9-12-7-5-11(3)6-8-12/h4H,5-9H2,1-3H3/b10-4+
InChIKeyARPHXMDMCOJJRJ-ONNFQVAWSA-N
MW168.28 g/mol
LogP1.20
Rot. Bonds2

About 1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine

1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine (PubChem CID 870777) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine
PubChem CID870777
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine
SMILESC/C=C(\C)CN1CCN(C)CC1
InChIInChI=1S/C10H20N2/c1-4-10(2)9-12-7-5-11(3)6-8-12/h4H,5-9H2,1-3H3/b10-4+
InChIKeyARPHXMDMCOJJRJ-ONNFQVAWSA-N
XLogP1.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.20
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-[(E)-2-methylbut-2-enyl]piperazine?
The IUPAC name of 1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine (CID 870777) is 1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine?
The canonical SMILES for 1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine is C/C=C(\C)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine?
The InChIKey is ARPHXMDMCOJJRJ-ONNFQVAWSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-10(2)9-12-7-5-11(3)6-8-12/h4H,5-9H2,1-3H3/b10-4+.
What are the key properties of 1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine?
1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine has a molecular weight of 168.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-methylbut-2-enyl]piperazine is sourced from PubChem (CID 870777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).