oxolan-3-yl 4-ethylpiperidine-1-carboxylate

C12H21NO3 — CID 70658220

IUPACoxolan-3-yl 4-ethylpiperidine-1-carboxylate
SMILESCCC1CCN(C(=O)OC2CCOC2)CC1
InChIInChI=1S/C12H21NO3/c1-2-10-3-6-13(7-4-10)12(14)16-11-5-8-15-9-11/h10-11H,2-9H2,1H3
InChIKeyOZAOJNPKPJEJJJ-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.03
Rot. Bonds2

About oxolan-3-yl 4-ethylpiperidine-1-carboxylate

oxolan-3-yl 4-ethylpiperidine-1-carboxylate (PubChem CID 70658220) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is oxolan-3-yl 4-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 4-ethylpiperidine-1-carboxylate
PubChem CID70658220
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameoxolan-3-yl 4-ethylpiperidine-1-carboxylate
SMILESCCC1CCN(C(=O)OC2CCOC2)CC1
InChIInChI=1S/C12H21NO3/c1-2-10-3-6-13(7-4-10)12(14)16-11-5-8-15-9-11/h10-11H,2-9H2,1H3
InChIKeyOZAOJNPKPJEJJJ-UHFFFAOYSA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-ethylpiperidine-1-carboxylate?
The IUPAC name of oxolan-3-yl 4-ethylpiperidine-1-carboxylate (CID 70658220) is oxolan-3-yl 4-ethylpiperidine-1-carboxylate.
What is the SMILES notation for oxolan-3-yl 4-ethylpiperidine-1-carboxylate?
The canonical SMILES for oxolan-3-yl 4-ethylpiperidine-1-carboxylate is CCC1CCN(C(=O)OC2CCOC2)CC1.
What is the InChIKey of oxolan-3-yl 4-ethylpiperidine-1-carboxylate?
The InChIKey is OZAOJNPKPJEJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-10-3-6-13(7-4-10)12(14)16-11-5-8-15-9-11/h10-11H,2-9H2,1H3.
What are the key properties of oxolan-3-yl 4-ethylpiperidine-1-carboxylate?
oxolan-3-yl 4-ethylpiperidine-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 70658220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).