4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine

C13H25N3 — CID 114547049

IUPAC4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine
SMILESCC(CN1CC(C)N(C)C(C)C1)=C1CNC1
InChIInChI=1S/C13H25N3/c1-10(13-5-14-6-13)7-16-8-11(2)15(4)12(3)9-16/h11-12,14H,5-9H2,1-4H3
InChIKeyHEVSOLLPXACHRS-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.93
Rot. Bonds2

About 4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine

4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine (PubChem CID 114547049) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine
PubChem CID114547049
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine
SMILESCC(CN1CC(C)N(C)C(C)C1)=C1CNC1
InChIInChI=1S/C13H25N3/c1-10(13-5-14-6-13)7-16-8-11(2)15(4)12(3)9-16/h11-12,14H,5-9H2,1-4H3
InChIKeyHEVSOLLPXACHRS-UHFFFAOYSA-N
XLogP0.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine?
The IUPAC name of 4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine (CID 114547049) is 4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine is CC(CN1CC(C)N(C)C(C)C1)=C1CNC1.
What is the InChIKey of 4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine?
The InChIKey is HEVSOLLPXACHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(13-5-14-6-13)7-16-8-11(2)15(4)12(3)9-16/h11-12,14H,5-9H2,1-4H3.
What are the key properties of 4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine?
4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine has a molecular weight of 223.36 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-ylidene)propyl]-1,2,6-trimethylpiperazine is sourced from PubChem (CID 114547049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).