bis(4-ethylpiperazin-1-yl)methanone

C13H26N4O — CID 108988471

IUPACbis(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-3-14-5-9-16(10-6-14)13(18)17-11-7-15(4-2)8-12-17/h3-12H2,1-2H3
InChIKeyRWANQCCVDFAVFI-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.38
Rot. Bonds2

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

bis(4-ethylpiperazin-1-yl)methanone (PubChem CID 108988471) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is bis(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namebis(4-ethylpiperazin-1-yl)methanone
PubChem CID108988471
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Namebis(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-3-14-5-9-16(10-6-14)13(18)17-11-7-15(4-2)8-12-17/h3-12H2,1-2H3
InChIKeyRWANQCCVDFAVFI-UHFFFAOYSA-N
XLogP0.38
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of bis(4-ethylpiperazin-1-yl)methanone (CID 108988471) is bis(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for bis(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for bis(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)N2CCN(CC)CC2)CC1.
What is the InChIKey of bis(4-ethylpiperazin-1-yl)methanone?
The InChIKey is RWANQCCVDFAVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-3-14-5-9-16(10-6-14)13(18)17-11-7-15(4-2)8-12-17/h3-12H2,1-2H3.
What are the key properties of bis(4-ethylpiperazin-1-yl)methanone?
bis(4-ethylpiperazin-1-yl)methanone has a molecular weight of 254.38 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 108988471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).