4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine

C13H25N3 — CID 116680044

IUPAC4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine
SMILESCCN1CCN(CC(C)=C2CNC2)CC1C
InChIInChI=1S/C13H25N3/c1-4-16-6-5-15(10-12(16)3)9-11(2)13-7-14-8-13/h12,14H,4-10H2,1-3H3
InChIKeyPKXBYEGDWJJLCG-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.93
Rot. Bonds3

About 4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine

4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine (PubChem CID 116680044) 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-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine
PubChem CID116680044
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine
SMILESCCN1CCN(CC(C)=C2CNC2)CC1C
InChIInChI=1S/C13H25N3/c1-4-16-6-5-15(10-12(16)3)9-11(2)13-7-14-8-13/h12,14H,4-10H2,1-3H3
InChIKeyPKXBYEGDWJJLCG-UHFFFAOYSA-N
XLogP0.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-ethyl-2-methylpiperazine?
The IUPAC name of 4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine (CID 116680044) is 4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine.
What is the SMILES notation for 4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine?
The canonical SMILES for 4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine is CCN1CCN(CC(C)=C2CNC2)CC1C.
What is the InChIKey of 4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine?
The InChIKey is PKXBYEGDWJJLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-16-6-5-15(10-12(16)3)9-11(2)13-7-14-8-13/h12,14H,4-10H2,1-3H3.
What are the key properties of 4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine?
4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine has a molecular weight of 223.36 g/mol, XLogP of 0.93, 3 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-ethyl-2-methylpiperazine is sourced from PubChem (CID 116680044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).