1-ethoxypropan-2-yl piperidine-3-carboxylate

C11H21NO3 — CID 103489226

IUPAC1-ethoxypropan-2-yl piperidine-3-carboxylate
SMILESCCOCC(C)OC(=O)C1CCCNC1
InChIInChI=1S/C11H21NO3/c1-3-14-8-9(2)15-11(13)10-5-4-6-12-7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyGMIBLBPTYTZUHQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds5

About 1-ethoxypropan-2-yl piperidine-3-carboxylate

1-ethoxypropan-2-yl piperidine-3-carboxylate (PubChem CID 103489226) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl piperidine-3-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl piperidine-3-carboxylate
PubChem CID103489226
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-ethoxypropan-2-yl piperidine-3-carboxylate
SMILESCCOCC(C)OC(=O)C1CCCNC1
InChIInChI=1S/C11H21NO3/c1-3-14-8-9(2)15-11(13)10-5-4-6-12-7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyGMIBLBPTYTZUHQ-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxypropan-2-yl cyclohexanecarboxylate
CID 126603945
1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 103489156
(3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide
CID 114113782
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
hexadecan-8-yl piperidine-3-carboxylate
CID 129288016
(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate
CID 14183616
bismuthane;carbamodithioic acid;ethyl piperidine-3-carboxylate
CID 174731342
ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid
CID 141098708
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
1-ethoxypropan-2-yl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 103489100
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
2-[2-(2-methoxyethoxy)ethoxy]ethyl piperidine-3-carboxylate
CID 104563241

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl piperidine-3-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl piperidine-3-carboxylate (CID 103489226) is 1-ethoxypropan-2-yl piperidine-3-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl piperidine-3-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl piperidine-3-carboxylate is CCOCC(C)OC(=O)C1CCCNC1.
What is the InChIKey of 1-ethoxypropan-2-yl piperidine-3-carboxylate?
The InChIKey is GMIBLBPTYTZUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-14-8-9(2)15-11(13)10-5-4-6-12-7-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-yl piperidine-3-carboxylate?
1-ethoxypropan-2-yl piperidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl piperidine-3-carboxylate is sourced from PubChem (CID 103489226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).