(2E)-2-ethylidenepiperazine

C6H12N2 — CID 22277249

IUPAC(2E)-2-ethylidenepiperazine
SMILESC/C=C1\CNCCN1
InChIInChI=1S/C6H12N2/c1-2-6-5-7-3-4-8-6/h2,7-8H,3-5H2,1H3/b6-2+
InChIKeyMMNBVPCPLWMNAK-QHHAFSJGSA-N
MW112.18 g/mol
LogP0.08
Rot. Bonds

About (2E)-2-ethylidenepiperazine

(2E)-2-ethylidenepiperazine (PubChem CID 22277249) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (2E)-2-ethylidenepiperazine.

Molecular Properties

Compound Name(2E)-2-ethylidenepiperazine
PubChem CID22277249
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(2E)-2-ethylidenepiperazine
SMILESC/C=C1\CNCCN1
InChIInChI=1S/C6H12N2/c1-2-6-5-7-3-4-8-6/h2,7-8H,3-5H2,1H3/b6-2+
InChIKeyMMNBVPCPLWMNAK-QHHAFSJGSA-N
XLogP0.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidenepiperazine?
The IUPAC name of (2E)-2-ethylidenepiperazine (CID 22277249) is (2E)-2-ethylidenepiperazine.
What is the SMILES notation for (2E)-2-ethylidenepiperazine?
The canonical SMILES for (2E)-2-ethylidenepiperazine is C/C=C1\CNCCN1.
What is the InChIKey of (2E)-2-ethylidenepiperazine?
The InChIKey is MMNBVPCPLWMNAK-QHHAFSJGSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-6-5-7-3-4-8-6/h2,7-8H,3-5H2,1H3/b6-2+.
What are the key properties of (2E)-2-ethylidenepiperazine?
(2E)-2-ethylidenepiperazine has a molecular weight of 112.18 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidenepiperazine is sourced from PubChem (CID 22277249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).