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

C8H16N2 — CID 1073878

IUPAC1-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CCNCC1
InChIInChI=1S/C8H16N2/c1-8(2)7-10-5-3-9-4-6-10/h9H,1,3-7H2,2H3
InChIKeyKFKOZGPFYSPNQZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.47
Rot. Bonds2

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

1-(2-methylprop-2-enyl)piperazine (PubChem CID 1073878) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)piperazine
PubChem CID1073878
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CCNCC1
InChIInChI=1S/C8H16N2/c1-8(2)7-10-5-3-9-4-6-10/h9H,1,3-7H2,2H3
InChIKeyKFKOZGPFYSPNQZ-UHFFFAOYSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.47
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 1-(2-methylprop-2-enyl)piperazine?
The IUPAC name of 1-(2-methylprop-2-enyl)piperazine (CID 1073878) is 1-(2-methylprop-2-enyl)piperazine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)piperazine?
The canonical SMILES for 1-(2-methylprop-2-enyl)piperazine is C=C(C)CN1CCNCC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)piperazine?
The InChIKey is KFKOZGPFYSPNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2)7-10-5-3-9-4-6-10/h9H,1,3-7H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)piperazine?
1-(2-methylprop-2-enyl)piperazine has a molecular weight of 140.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)piperazine is sourced from PubChem (CID 1073878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).