ethyl 2-(piperidin-3-ylmethoxy)pentanoate

C13H25NO3 — CID 83212553

IUPACethyl 2-(piperidin-3-ylmethoxy)pentanoate
SMILESCCCC(OCC1CCCNC1)C(=O)OCC
InChIInChI=1S/C13H25NO3/c1-3-6-12(13(15)16-4-2)17-10-11-7-5-8-14-9-11/h11-12,14H,3-10H2,1-2H3
InChIKeyIOAVNRSKLUQTEF-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.73
Rot. Bonds7

About ethyl 2-(piperidin-3-ylmethoxy)pentanoate

ethyl 2-(piperidin-3-ylmethoxy)pentanoate (PubChem CID 83212553) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-(piperidin-3-ylmethoxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-(piperidin-3-ylmethoxy)pentanoate
PubChem CID83212553
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-(piperidin-3-ylmethoxy)pentanoate
SMILESCCCC(OCC1CCCNC1)C(=O)OCC
InChIInChI=1S/C13H25NO3/c1-3-6-12(13(15)16-4-2)17-10-11-7-5-8-14-9-11/h11-12,14H,3-10H2,1-2H3
InChIKeyIOAVNRSKLUQTEF-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate
CID 106940483
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452
[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
piperidin-3-ylmethyl 3-methylbutanoate
CID 56829531
ethyl 2-(2-piperidin-2-ylethoxy)pentanoate
CID 106939616
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
3-(2-methylpentoxymethyl)piperidine
CID 62339734
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
ethyl 6-(piperidin-3-ylmethoxy)hexanoate
CID 83212380
(3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine
CID 99980954

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(piperidin-3-ylmethoxy)pentanoate?
The IUPAC name of ethyl 2-(piperidin-3-ylmethoxy)pentanoate (CID 83212553) is ethyl 2-(piperidin-3-ylmethoxy)pentanoate.
What is the SMILES notation for ethyl 2-(piperidin-3-ylmethoxy)pentanoate?
The canonical SMILES for ethyl 2-(piperidin-3-ylmethoxy)pentanoate is CCCC(OCC1CCCNC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(piperidin-3-ylmethoxy)pentanoate?
The InChIKey is IOAVNRSKLUQTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-6-12(13(15)16-4-2)17-10-11-7-5-8-14-9-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(piperidin-3-ylmethoxy)pentanoate?
ethyl 2-(piperidin-3-ylmethoxy)pentanoate has a molecular weight of 243.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(piperidin-3-ylmethoxy)pentanoate is sourced from PubChem (CID 83212553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).