(2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine

C9H18N2 — CID 139406605

IUPAC(2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine
SMILESC=CN1C[C@H](C)N(C)C[C@H]1C
InChIInChI=1S/C9H18N2/c1-5-11-7-8(2)10(4)6-9(11)3/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m0/s1
InChIKeyMHUONZZXIYSGBZ-DTWKUNHWSA-N
MW154.26 g/mol
LogP1.15
Rot. Bonds1

About (2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine

(2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine (PubChem CID 139406605) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine.

Molecular Properties

Compound Name(2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine
PubChem CID139406605
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine
SMILESC=CN1C[C@H](C)N(C)C[C@H]1C
InChIInChI=1S/C9H18N2/c1-5-11-7-8(2)10(4)6-9(11)3/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m0/s1
InChIKeyMHUONZZXIYSGBZ-DTWKUNHWSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine?
The IUPAC name of (2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine (CID 139406605) is (2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine.
What is the SMILES notation for (2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine?
The canonical SMILES for (2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine is C=CN1C[C@H](C)N(C)C[C@H]1C.
What is the InChIKey of (2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine?
The InChIKey is MHUONZZXIYSGBZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-11-7-8(2)10(4)6-9(11)3/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m0/s1.
What are the key properties of (2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine?
(2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine has a molecular weight of 154.26 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine is sourced from PubChem (CID 139406605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).