(4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone

C12H24N4O — CID 70672319

IUPAC(4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H24N4O/c1-3-14-6-10-16(11-7-14)12(17)15-8-4-13(2)5-9-15/h3-11H2,1-2H3
InChIKeyYIGNWGFDOUIGIV-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.01
Rot. Bonds1

About (4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone

(4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 70672319) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID70672319
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name(4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H24N4O/c1-3-14-6-10-16(11-7-14)12(17)15-8-4-13(2)5-9-15/h3-11H2,1-2H3
InChIKeyYIGNWGFDOUIGIV-UHFFFAOYSA-N
XLogP-0.01
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone (CID 70672319) is (4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone is CCN1CCN(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YIGNWGFDOUIGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-3-14-6-10-16(11-7-14)12(17)15-8-4-13(2)5-9-15/h3-11H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone?
(4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 70672319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).