ethyl 1-cyclobutylpiperidine-4-carboxylate

C12H21NO2 — CID 91436949

IUPACethyl 1-cyclobutylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCC2)CC1
InChIInChI=1S/C12H21NO2/c1-2-15-12(14)10-6-8-13(9-7-10)11-4-3-5-11/h10-11H,2-9H2,1H3
InChIKeyFMFBVZPYSQYGTG-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds3

About ethyl 1-cyclobutylpiperidine-4-carboxylate

ethyl 1-cyclobutylpiperidine-4-carboxylate (PubChem CID 91436949) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 1-cyclobutylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclobutylpiperidine-4-carboxylate
PubChem CID91436949
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 1-cyclobutylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCC2)CC1
InChIInChI=1S/C12H21NO2/c1-2-15-12(14)10-6-8-13(9-7-10)11-4-3-5-11/h10-11H,2-9H2,1H3
InChIKeyFMFBVZPYSQYGTG-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
CID 169225994
tert-butyl 4-(4-ethoxycarbonylpiperidin-1-yl)azepane-1-carboxylate
CID 123273994
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
CID 12519345
ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
CID 95355404
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(2-formylcyclohexyl)piperidine-4-carboxylate
CID 44558678

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclobutylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-cyclobutylpiperidine-4-carboxylate (CID 91436949) is ethyl 1-cyclobutylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-cyclobutylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-cyclobutylpiperidine-4-carboxylate is CCOC(=O)C1CCN(C2CCC2)CC1.
What is the InChIKey of ethyl 1-cyclobutylpiperidine-4-carboxylate?
The InChIKey is FMFBVZPYSQYGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-15-12(14)10-6-8-13(9-7-10)11-4-3-5-11/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 1-cyclobutylpiperidine-4-carboxylate?
ethyl 1-cyclobutylpiperidine-4-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclobutylpiperidine-4-carboxylate is sourced from PubChem (CID 91436949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).