2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one

C13H26N2O — CID 50999951

IUPAC2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCNCC1C
InChIInChI=1S/C13H26N2O/c1-4-6-7-12(5-2)13(16)15-9-8-14-10-11(15)3/h11-12,14H,4-10H2,1-3H3
InChIKeyUZXUDMYHJNOLBS-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds5

About 2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one

2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one (PubChem CID 50999951) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
PubChem CID50999951
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCNCC1C
InChIInChI=1S/C13H26N2O/c1-4-6-7-12(5-2)13(16)15-9-8-14-10-11(15)3/h11-12,14H,4-10H2,1-3H3
InChIKeyUZXUDMYHJNOLBS-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one?
The IUPAC name of 2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one (CID 50999951) is 2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one?
The canonical SMILES for 2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one is CCCCC(CC)C(=O)N1CCNCC1C.
What is the InChIKey of 2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one?
The InChIKey is UZXUDMYHJNOLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-7-12(5-2)13(16)15-9-8-14-10-11(15)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one?
2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one is sourced from PubChem (CID 50999951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).