ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate

C12H21NO2 — CID 129182819

IUPACethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
SMILESC=C(CC)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C12H21NO2/c1-4-10(3)13-8-6-11(7-9-13)12(14)15-5-2/h11H,3-9H2,1-2H3
InChIKeyAUDVFLBTNWFPDE-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.19
Rot. Bonds4

About ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate

ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate (PubChem CID 129182819) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
PubChem CID129182819
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
SMILESC=C(CC)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C12H21NO2/c1-4-10(3)13-8-6-11(7-9-13)12(14)15-5-2/h11H,3-9H2,1-2H3
InChIKeyAUDVFLBTNWFPDE-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate
CID 129182710
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549697
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020

Frequently Asked Questions

What is the IUPAC name of ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate (CID 129182819) is ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate is C=C(CC)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate?
The InChIKey is AUDVFLBTNWFPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-10(3)13-8-6-11(7-9-13)12(14)15-5-2/h11H,3-9H2,1-2H3.
What are the key properties of ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate?
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 129182819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).