(2S)-2-ethenyl-1,4,6-trimethylpiperazine

C9H18N2 — CID 167282263

IUPAC(2S)-2-ethenyl-1,4,6-trimethylpiperazine
SMILESC=C[C@H]1CN(C)CC(C)N1C
InChIInChI=1S/C9H18N2/c1-5-9-7-10(3)6-8(2)11(9)4/h5,8-9H,1,6-7H2,2-4H3/t8?,9-/m0/s1
InChIKeyGRCWZNKJGUHAJM-GKAPJAKFSA-N
MW154.26 g/mol
LogP0.81
Rot. Bonds1

About (2S)-2-ethenyl-1,4,6-trimethylpiperazine

(2S)-2-ethenyl-1,4,6-trimethylpiperazine (PubChem CID 167282263) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (2S)-2-ethenyl-1,4,6-trimethylpiperazine.

Molecular Properties

Compound Name(2S)-2-ethenyl-1,4,6-trimethylpiperazine
PubChem CID167282263
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(2S)-2-ethenyl-1,4,6-trimethylpiperazine
SMILESC=C[C@H]1CN(C)CC(C)N1C
InChIInChI=1S/C9H18N2/c1-5-9-7-10(3)6-8(2)11(9)4/h5,8-9H,1,6-7H2,2-4H3/t8?,9-/m0/s1
InChIKeyGRCWZNKJGUHAJM-GKAPJAKFSA-N
XLogP0.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
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 (2S)-2-ethenyl-1,4,6-trimethylpiperazine?
The IUPAC name of (2S)-2-ethenyl-1,4,6-trimethylpiperazine (CID 167282263) is (2S)-2-ethenyl-1,4,6-trimethylpiperazine.
What is the SMILES notation for (2S)-2-ethenyl-1,4,6-trimethylpiperazine?
The canonical SMILES for (2S)-2-ethenyl-1,4,6-trimethylpiperazine is C=C[C@H]1CN(C)CC(C)N1C.
What is the InChIKey of (2S)-2-ethenyl-1,4,6-trimethylpiperazine?
The InChIKey is GRCWZNKJGUHAJM-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-9-7-10(3)6-8(2)11(9)4/h5,8-9H,1,6-7H2,2-4H3/t8?,9-/m0/s1.
What are the key properties of (2S)-2-ethenyl-1,4,6-trimethylpiperazine?
(2S)-2-ethenyl-1,4,6-trimethylpiperazine has a molecular weight of 154.26 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-1,4,6-trimethylpiperazine is sourced from PubChem (CID 167282263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).