tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate

C17H34N2O4 — CID 144664368

IUPACtert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate
SMILESCC(C)(C)OC(=O)COCCCCCOCCN1CCNCC1
InChIInChI=1S/C17H34N2O4/c1-17(2,3)23-16(20)15-22-13-6-4-5-12-21-14-11-19-9-7-18-8-10-19/h18H,4-15H2,1-3H3
InChIKeyIZQYMXIKKBPLDH-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.44
Rot. Bonds11

About tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate

tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate (PubChem CID 144664368) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate
PubChem CID144664368
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Nametert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate
SMILESCC(C)(C)OC(=O)COCCCCCOCCN1CCNCC1
InChIInChI=1S/C17H34N2O4/c1-17(2,3)23-16(20)15-22-13-6-4-5-12-21-14-11-19-9-7-18-8-10-19/h18H,4-15H2,1-3H3
InChIKeyIZQYMXIKKBPLDH-UHFFFAOYSA-N
XLogP1.44
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate
CID 90281059
tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate
CID 159756048
tert-butyl 4-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethyl]piperazine-1-carboxylate
CID 178069200
tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate
CID 135216756
ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
CID 142367721
tert-butyl 2-(3-hexoxypropoxy)acetate
CID 122428498
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate
CID 139791303
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
tert-butyl 2-[3-(6-methylheptoxy)propoxy]acetate
CID 167404760
tert-butyl 2-[5-(2-hydroxyethoxy)pentoxy]acetate;tert-butyl 2-(5-propoxypentoxy)acetate
CID 160990095
tert-butyl 2-amino-5-piperazin-1-ylpentanoate
CID 57355020

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate?
The IUPAC name of tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate (CID 144664368) is tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate.
What is the SMILES notation for tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate?
The canonical SMILES for tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate is CC(C)(C)OC(=O)COCCCCCOCCN1CCNCC1.
What is the InChIKey of tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate?
The InChIKey is IZQYMXIKKBPLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-17(2,3)23-16(20)15-22-13-6-4-5-12-21-14-11-19-9-7-18-8-10-19/h18H,4-15H2,1-3H3.
What are the key properties of tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate?
tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate has a molecular weight of 330.47 g/mol, XLogP of 1.44, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate is sourced from PubChem (CID 144664368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).