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

C16H32N2O5 — CID 90281059

IUPACtert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCN1CCNCC1
InChIInChI=1S/C16H32N2O5/c1-16(2,3)23-15(19)14-22-13-12-21-11-10-20-9-8-18-6-4-17-5-7-18/h17H,4-14H2,1-3H3
InChIKeyNMKNBAIOBHXGGP-UHFFFAOYSA-N
MW332.44 g/mol
LogP0.28
Rot. Bonds11

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

tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate (PubChem CID 90281059) has the molecular formula C16H32N2O5 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate
PubChem CID90281059
Molecular FormulaC16H32N2O5
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC Nametert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCN1CCNCC1
InChIInChI=1S/C16H32N2O5/c1-16(2,3)23-15(19)14-22-13-12-21-11-10-20-9-8-18-6-4-17-5-7-18/h17H,4-14H2,1-3H3
InChIKeyNMKNBAIOBHXGGP-UHFFFAOYSA-N
XLogP0.28
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate
CID 144664368
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
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate
CID 135216756
tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
CID 176640180
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
tert-butyl 2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetate
CID 154776104
tert-butyl 2-[2-[4-(2,2-dimethylpropyl)-1,4,7-triazonan-1-yl]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 122492640

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate (CID 90281059) is tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate is CC(C)(C)OC(=O)COCCOCCOCCN1CCNCC1.
What is the InChIKey of tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate?
The InChIKey is NMKNBAIOBHXGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O5/c1-16(2,3)23-15(19)14-22-13-12-21-11-10-20-9-8-18-6-4-17-5-7-18/h17H,4-14H2,1-3H3.
What are the key properties of tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate?
tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate has a molecular weight of 332.44 g/mol, XLogP of 0.28, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate is sourced from PubChem (CID 90281059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).