ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate

C14H27NO3 — CID 47811065

IUPACethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C14H27NO3/c1-5-17-13(16)12-6-8-15(9-7-12)10-11-18-14(2,3)4/h12H,5-11H2,1-4H3
InChIKeyGWZNBUAHWWGEGX-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.08
Rot. Bonds5

About ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate

ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate (PubChem CID 47811065) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate
PubChem CID47811065
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C14H27NO3/c1-5-17-13(16)12-6-8-15(9-7-12)10-11-18-14(2,3)4/h12H,5-11H2,1-4H3
InChIKeyGWZNBUAHWWGEGX-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate (CID 47811065) is ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate?
The InChIKey is GWZNBUAHWWGEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-17-13(16)12-6-8-15(9-7-12)10-11-18-14(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 47811065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).