2-methyl-1-prop-2-enylpiperazine

C8H16N2 — CID 22918217

IUPAC2-methyl-1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1C
InChIInChI=1S/C8H16N2/c1-3-5-10-6-4-9-7-8(10)2/h3,8-9H,1,4-7H2,2H3
InChIKeyKDFQUMSAHYGKPZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.47
Rot. Bonds2

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

2-methyl-1-prop-2-enylpiperazine (PubChem CID 22918217) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name2-methyl-1-prop-2-enylpiperazine
PubChem CID22918217
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1C
InChIInChI=1S/C8H16N2/c1-3-5-10-6-4-9-7-8(10)2/h3,8-9H,1,4-7H2,2H3
InChIKeyKDFQUMSAHYGKPZ-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 2-methyl-1-prop-2-enylpiperazine?
The IUPAC name of 2-methyl-1-prop-2-enylpiperazine (CID 22918217) is 2-methyl-1-prop-2-enylpiperazine.
What is the SMILES notation for 2-methyl-1-prop-2-enylpiperazine?
The canonical SMILES for 2-methyl-1-prop-2-enylpiperazine is C=CCN1CCNCC1C.
What is the InChIKey of 2-methyl-1-prop-2-enylpiperazine?
The InChIKey is KDFQUMSAHYGKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-5-10-6-4-9-7-8(10)2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-methyl-1-prop-2-enylpiperazine?
2-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 2-methyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 22918217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).