2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine

C12H24N2 — CID 145292582

IUPAC2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine
SMILESC=C(CCC)N1CCN(C)C(CC)C1
InChIInChI=1S/C12H24N2/c1-5-7-11(3)14-9-8-13(4)12(6-2)10-14/h12H,3,5-10H2,1-2,4H3
InChIKeyXYLPPDBZIRWYDZ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.33
Rot. Bonds4

About 2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine

2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine (PubChem CID 145292582) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine
PubChem CID145292582
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine
SMILESC=C(CCC)N1CCN(C)C(CC)C1
InChIInChI=1S/C12H24N2/c1-5-7-11(3)14-9-8-13(4)12(6-2)10-14/h12H,3,5-10H2,1-2,4H3
InChIKeyXYLPPDBZIRWYDZ-UHFFFAOYSA-N
XLogP2.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine (CID 145292582) is 2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine is C=C(CCC)N1CCN(C)C(CC)C1.
What is the InChIKey of 2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine?
The InChIKey is XYLPPDBZIRWYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-7-11(3)14-9-8-13(4)12(6-2)10-14/h12H,3,5-10H2,1-2,4H3.
What are the key properties of 2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine?
2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine has a molecular weight of 196.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-4-pent-1-en-2-ylpiperazine is sourced from PubChem (CID 145292582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).