2,5,5-trimethyl-1-prop-2-enylpiperazine

C10H20N2 — CID 20612347

IUPAC2,5,5-trimethyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(C)(C)NCC1C
InChIInChI=1S/C10H20N2/c1-5-6-12-8-10(3,4)11-7-9(12)2/h5,9,11H,1,6-8H2,2-4H3
InChIKeyDEJVEXVGNLVTQB-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.24
Rot. Bonds2

About 2,5,5-trimethyl-1-prop-2-enylpiperazine

2,5,5-trimethyl-1-prop-2-enylpiperazine (PubChem CID 20612347) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-prop-2-enylpiperazine
PubChem CID20612347
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2,5,5-trimethyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(C)(C)NCC1C
InChIInChI=1S/C10H20N2/c1-5-6-12-8-10(3,4)11-7-9(12)2/h5,9,11H,1,6-8H2,2-4H3
InChIKeyDEJVEXVGNLVTQB-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.24
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 2,5,5-trimethyl-1-prop-2-enylpiperazine?
The IUPAC name of 2,5,5-trimethyl-1-prop-2-enylpiperazine (CID 20612347) is 2,5,5-trimethyl-1-prop-2-enylpiperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-prop-2-enylpiperazine?
The canonical SMILES for 2,5,5-trimethyl-1-prop-2-enylpiperazine is C=CCN1CC(C)(C)NCC1C.
What is the InChIKey of 2,5,5-trimethyl-1-prop-2-enylpiperazine?
The InChIKey is DEJVEXVGNLVTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-12-8-10(3,4)11-7-9(12)2/h5,9,11H,1,6-8H2,2-4H3.
What are the key properties of 2,5,5-trimethyl-1-prop-2-enylpiperazine?
2,5,5-trimethyl-1-prop-2-enylpiperazine has a molecular weight of 168.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 20612347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).