tert-butyl 2-(2-piperidin-2-ylethoxy)acetate

C13H25NO3 — CID 71057140

IUPACtert-butyl 2-(2-piperidin-2-ylethoxy)acetate
SMILESCC(C)(C)OC(=O)COCCC1CCCCN1
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(15)10-16-9-7-11-6-4-5-8-14-11/h11,14H,4-10H2,1-3H3
InChIKeyWMULFVPTBYAFDI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.88
Rot. Bonds5

About tert-butyl 2-(2-piperidin-2-ylethoxy)acetate

tert-butyl 2-(2-piperidin-2-ylethoxy)acetate (PubChem CID 71057140) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 2-(2-piperidin-2-ylethoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-piperidin-2-ylethoxy)acetate
PubChem CID71057140
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 2-(2-piperidin-2-ylethoxy)acetate
SMILESCC(C)(C)OC(=O)COCCC1CCCCN1
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(15)10-16-9-7-11-6-4-5-8-14-11/h11,14H,4-10H2,1-3H3
InChIKeyWMULFVPTBYAFDI-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 10797616
2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
CID 106937966
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
N,N-dimethyl-4-(2-piperidin-2-ylethoxy)butanamide
CID 55065440
tert-butyl 2-(cyclopentylmethoxy)acetate
CID 174164235
1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone
CID 82353208
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
tert-butyl 2-[2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)ethoxy]acetate
CID 90956508
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-piperidin-2-ylethoxy)acetate?
The IUPAC name of tert-butyl 2-(2-piperidin-2-ylethoxy)acetate (CID 71057140) is tert-butyl 2-(2-piperidin-2-ylethoxy)acetate.
What is the SMILES notation for tert-butyl 2-(2-piperidin-2-ylethoxy)acetate?
The canonical SMILES for tert-butyl 2-(2-piperidin-2-ylethoxy)acetate is CC(C)(C)OC(=O)COCCC1CCCCN1.
What is the InChIKey of tert-butyl 2-(2-piperidin-2-ylethoxy)acetate?
The InChIKey is WMULFVPTBYAFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)17-12(15)10-16-9-7-11-6-4-5-8-14-11/h11,14H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-(2-piperidin-2-ylethoxy)acetate?
tert-butyl 2-(2-piperidin-2-ylethoxy)acetate has a molecular weight of 243.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-piperidin-2-ylethoxy)acetate is sourced from PubChem (CID 71057140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).