2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate

C13H25NO4 — CID 112588078

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate
SMILESCC(C)(C)OCCOC(=O)COC1CCNCC1
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-9-8-16-12(15)10-17-11-4-6-14-7-5-11/h11,14H,4-10H2,1-3H3
InChIKeyANPXVYRLZJQQLW-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.11
Rot. Bonds6

About 2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate

2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate (PubChem CID 112588078) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate
PubChem CID112588078
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate
SMILESCC(C)(C)OCCOC(=O)COC1CCNCC1
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-9-8-16-12(15)10-17-11-4-6-14-7-5-11/h11,14H,4-10H2,1-3H3
InChIKeyANPXVYRLZJQQLW-UHFFFAOYSA-N
XLogP1.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-piperidin-4-yloxyacetate
CID 63871576
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate
CID 126620309
2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate
CID 112588197
2-piperidin-4-yloxyethyl acetate;hydrochloride
CID 172841585
2-methyl-2-[(2-piperidin-4-yloxyacetyl)amino]butanamide
CID 112738157
N-methoxy-2-piperidin-4-yloxyacetamide
CID 64975041
2-[(2-methylpropan-2-yl)oxy]ethyl (2S)-pyrrolidine-2-carboxylate
CID 103939547
2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate
CID 103939543
N,N-dimethyl-2-piperidin-4-yloxyacetamide
CID 43346284
oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate
CID 63869920
2-cyclobutylethyl 3-piperidin-4-yloxypropanoate
CID 106203080

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate (CID 112588078) is 2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate is CC(C)(C)OCCOC(=O)COC1CCNCC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate?
The InChIKey is ANPXVYRLZJQQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,3)18-9-8-16-12(15)10-17-11-4-6-14-7-5-11/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate?
2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate has a molecular weight of 259.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate is sourced from PubChem (CID 112588078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).