[(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone

C11H22N4O — CID 141149704

IUPAC[(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone
SMILESCCN1CCN[C@@H](C(=O)N2CCNCC2)C1
InChIInChI=1S/C11H22N4O/c1-2-14-6-5-13-10(9-14)11(16)15-7-3-12-4-8-15/h10,12-13H,2-9H2,1H3/t10-/m1/s1
InChIKeyAFJCRFDDOHTXCM-SNVBAGLBSA-N
MW226.32 g/mol
LogP-1.29
Rot. Bonds2

About [(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone

[(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone (PubChem CID 141149704) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is [(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone
PubChem CID141149704
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name[(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone
SMILESCCN1CCN[C@@H](C(=O)N2CCNCC2)C1
InChIInChI=1S/C11H22N4O/c1-2-14-6-5-13-10(9-14)11(16)15-7-3-12-4-8-15/h10,12-13H,2-9H2,1H3/t10-/m1/s1
InChIKeyAFJCRFDDOHTXCM-SNVBAGLBSA-N
XLogP-1.29
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone (CID 141149704) is [(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone is CCN1CCN[C@@H](C(=O)N2CCNCC2)C1.
What is the InChIKey of [(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is AFJCRFDDOHTXCM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N4O/c1-2-14-6-5-13-10(9-14)11(16)15-7-3-12-4-8-15/h10,12-13H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of [(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone?
[(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 226.32 g/mol, XLogP of -1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-ethylpiperazin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 141149704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).