1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine

C40H81N7O3 — CID 162095432

IUPAC1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine
SMILESCCC(=O)N1CCN(CC)CC1.CCCC(=O)N1CCN(CC)CC1.CCCCC(=O)C1CCN(CC)CC1.CCCN1CCN(CC)CC1
InChIInChI=1S/C12H23NO.C10H20N2O.C9H18N2O.C9H20N2/c1-3-5-6-12(14)11-7-9-13(4-2)10-8-11;1-3-5-10(13)12-8-6-11(4-2)7-9-12;1-3-9(12)11-7-5-10(4-2)6-8-11;1-3-5-11-8-6-10(4-2)7-9-11/h11H,3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-9H2,1-2H3
InChIKeyZEELKJQKULZBIU-UHFFFAOYSA-N
MW708.13 g/mol
LogP5.02
Rot. Bonds13

About 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine

1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine (PubChem CID 162095432) has the molecular formula C40H81N7O3 and a molecular weight of 708.13 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine
PubChem CID162095432
Molecular FormulaC40H81N7O3
Molecular Weight708.13 g/mol
Exact Mass707.64
IUPAC Name1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine
SMILESCCC(=O)N1CCN(CC)CC1.CCCC(=O)N1CCN(CC)CC1.CCCCC(=O)C1CCN(CC)CC1.CCCN1CCN(CC)CC1
InChIInChI=1S/C12H23NO.C10H20N2O.C9H18N2O.C9H20N2/c1-3-5-6-12(14)11-7-9-13(4-2)10-8-11;1-3-5-10(13)12-8-6-11(4-2)7-9-12;1-3-9(12)11-7-5-10(4-2)6-8-11;1-3-5-11-8-6-10(4-2)7-9-11/h11H,3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-9H2,1-2H3
InChIKeyZEELKJQKULZBIU-UHFFFAOYSA-N
XLogP5.02
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.13
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine (CID 162095432) is 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine is CCC(=O)N1CCN(CC)CC1.CCCC(=O)N1CCN(CC)CC1.CCCCC(=O)C1CCN(CC)CC1.CCCN1CCN(CC)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine?
The InChIKey is ZEELKJQKULZBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C10H20N2O.C9H18N2O.C9H20N2/c1-3-5-6-12(14)11-7-9-13(4-2)10-8-11;1-3-5-10(13)12-8-6-11(4-2)7-9-12;1-3-9(12)11-7-5-10(4-2)6-8-11;1-3-5-11-8-6-10(4-2)7-9-11/h11H,3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-9H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine?
1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine has a molecular weight of 708.13 g/mol, XLogP of 5.02, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine is sourced from PubChem (CID 162095432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).