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

C15H29NO4 — CID 159756048

IUPACtert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCN1CCCCC1
InChIInChI=1S/C15H29NO4/c1-15(2,3)20-14(17)13-19-12-11-18-10-9-16-7-5-4-6-8-16/h4-13H2,1-3H3
InChIKeyMBIASBUMVRNGNU-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.85
Rot. Bonds8

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

tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate (PubChem CID 159756048) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate
PubChem CID159756048
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCN1CCCCC1
InChIInChI=1S/C15H29NO4/c1-15(2,3)20-14(17)13-19-12-11-18-10-9-16-7-5-4-6-8-16/h4-13H2,1-3H3
InChIKeyMBIASBUMVRNGNU-UHFFFAOYSA-N
XLogP1.85
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethyl]piperazine-1-carboxylate
CID 178069200
tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate
CID 144664368
tert-butyl 2-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperazin-1-yl]propoxy]acetate
CID 135216756
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 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
CID 176640180
tert-butyl 2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetate
CID 154776104
tert-butyl 2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
CID 170899127
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615
2-[5-(2-piperidin-1-ylethoxy)pentoxy]acetamide
CID 142368425

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate (CID 159756048) is tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate is CC(C)(C)OC(=O)COCCOCCN1CCCCC1.
What is the InChIKey of tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate?
The InChIKey is MBIASBUMVRNGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-15(2,3)20-14(17)13-19-12-11-18-10-9-16-7-5-4-6-8-16/h4-13H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate?
tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate has a molecular weight of 287.40 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-piperidin-1-ylethoxy)ethoxy]acetate is sourced from PubChem (CID 159756048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).