1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

C18H35N3O5 — CID 143658526

IUPAC1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CO)C1.CC(=O)N1CCN(CCOCCO)CC1
InChIInChI=1S/C10H20N2O3.C8H15NO2/c1-10(14)12-4-2-11(3-5-12)6-8-15-9-7-13;1-7(11)9-4-2-3-8(5-9)6-10/h13H,2-9H2,1H3;8,10H,2-6H2,1H3
InChIKeyCHIVFCAJQLSEIH-UHFFFAOYSA-N
MW373.49 g/mol
LogP-0.60
Rot. Bonds6

About 1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 143658526) has the molecular formula C18H35N3O5 and a molecular weight of 373.49 g/mol. Its IUPAC name is 1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID143658526
Molecular FormulaC18H35N3O5
Molecular Weight373.49 g/mol
Exact Mass373.26
IUPAC Name1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CO)C1.CC(=O)N1CCN(CCOCCO)CC1
InChIInChI=1S/C10H20N2O3.C8H15NO2/c1-10(14)12-4-2-11(3-5-12)6-8-15-9-7-13;1-7(11)9-4-2-3-8(5-9)6-10/h13H,2-9H2,1H3;8,10H,2-6H2,1H3
InChIKeyCHIVFCAJQLSEIH-UHFFFAOYSA-N
XLogP-0.60
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 143658526) is 1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(CO)C1.CC(=O)N1CCN(CCOCCO)CC1.
What is the InChIKey of 1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is CHIVFCAJQLSEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.C8H15NO2/c1-10(14)12-4-2-11(3-5-12)6-8-15-9-7-13;1-7(11)9-4-2-3-8(5-9)6-10/h13H,2-9H2,1H3;8,10H,2-6H2,1H3.
What are the key properties of 1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 373.49 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 143658526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).