ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate

C12H21NO3 — CID 95355404

IUPACethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@@H]2CCOC2)CC1
InChIInChI=1S/C12H21NO3/c1-2-16-12(14)10-3-6-13(7-4-10)11-5-8-15-9-11/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyAMKWISBUBCSFOG-LLVKDONJSA-N
MW227.30 g/mol
LogP1.05
Rot. Bonds3

About ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate

ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate (PubChem CID 95355404) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
PubChem CID95355404
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@@H]2CCOC2)CC1
InChIInChI=1S/C12H21NO3/c1-2-16-12(14)10-3-6-13(7-4-10)11-5-8-15-9-11/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyAMKWISBUBCSFOG-LLVKDONJSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
CID 169225994
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-[[(2S)-2-methyloxiran-2-yl]methyl]piperidine-4-carboxylate
CID 86604813
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate (CID 95355404) is ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN([C@@H]2CCOC2)CC1.
What is the InChIKey of ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate?
The InChIKey is AMKWISBUBCSFOG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-16-12(14)10-3-6-13(7-4-10)11-5-8-15-9-11/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate?
ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 95355404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).