3-methyl-1-prop-2-enylpiperazine

C8H16N2 — CID 23447962

IUPAC3-methyl-1-prop-2-enylpiperazine
SMILESC=CCN1CCNC(C)C1
InChIInChI=1S/C8H16N2/c1-3-5-10-6-4-9-8(2)7-10/h3,8-9H,1,4-7H2,2H3
InChIKeyTXSJQDAXVZMHKK-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.47
Rot. Bonds2

About 3-methyl-1-prop-2-enylpiperazine

3-methyl-1-prop-2-enylpiperazine (PubChem CID 23447962) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name3-methyl-1-prop-2-enylpiperazine
PubChem CID23447962
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-methyl-1-prop-2-enylpiperazine
SMILESC=CCN1CCNC(C)C1
InChIInChI=1S/C8H16N2/c1-3-5-10-6-4-9-8(2)7-10/h3,8-9H,1,4-7H2,2H3
InChIKeyTXSJQDAXVZMHKK-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 3-methyl-1-prop-2-enylpiperazine?
The IUPAC name of 3-methyl-1-prop-2-enylpiperazine (CID 23447962) is 3-methyl-1-prop-2-enylpiperazine.
What is the SMILES notation for 3-methyl-1-prop-2-enylpiperazine?
The canonical SMILES for 3-methyl-1-prop-2-enylpiperazine is C=CCN1CCNC(C)C1.
What is the InChIKey of 3-methyl-1-prop-2-enylpiperazine?
The InChIKey is TXSJQDAXVZMHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-5-10-6-4-9-8(2)7-10/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 3-methyl-1-prop-2-enylpiperazine?
3-methyl-1-prop-2-enylpiperazine 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 3-methyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 23447962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).