ethyl 6-piperidin-3-yloxyhexanoate

C13H25NO3 — CID 106939322

IUPACethyl 6-piperidin-3-yloxyhexanoate
SMILESCCOC(=O)CCCCCOC1CCCNC1
InChIInChI=1S/C13H25NO3/c1-2-16-13(15)8-4-3-5-10-17-12-7-6-9-14-11-12/h12,14H,2-11H2,1H3
InChIKeyCBAYKJLQUCNIPC-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.88
Rot. Bonds8

About ethyl 6-piperidin-3-yloxyhexanoate

ethyl 6-piperidin-3-yloxyhexanoate (PubChem CID 106939322) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 6-piperidin-3-yloxyhexanoate.

Molecular Properties

Compound Nameethyl 6-piperidin-3-yloxyhexanoate
PubChem CID106939322
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 6-piperidin-3-yloxyhexanoate
SMILESCCOC(=O)CCCCCOC1CCCNC1
InChIInChI=1S/C13H25NO3/c1-2-16-13(15)8-4-3-5-10-17-12-7-6-9-14-11-12/h12,14H,2-11H2,1H3
InChIKeyCBAYKJLQUCNIPC-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(piperidin-3-ylmethoxy)hexanoate
CID 83212380
ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate
CID 55794353
ethyl 4-(azepan-4-ylamino)butanoate
CID 103982256
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
diethyl icosanedioate
CID 5058538
ethyl 3-[methyl(piperidin-3-yl)amino]propanoate
CID 84755502
2-piperidin-3-yloxyethanol
CID 43197065
methyl 2-[(3R)-piperidin-3-yl]oxyacetate
CID 99909798
3-(2-butoxyethoxy)piperidine
CID 55151121
(3S)-3-hept-6-enoxypiperidine
CID 107007733
diethyl hexanedioate
CID 160747628
ethyl 16-butoxyhexadecanoate
CID 56991029

Frequently Asked Questions

What is the IUPAC name of ethyl 6-piperidin-3-yloxyhexanoate?
The IUPAC name of ethyl 6-piperidin-3-yloxyhexanoate (CID 106939322) is ethyl 6-piperidin-3-yloxyhexanoate.
What is the SMILES notation for ethyl 6-piperidin-3-yloxyhexanoate?
The canonical SMILES for ethyl 6-piperidin-3-yloxyhexanoate is CCOC(=O)CCCCCOC1CCCNC1.
What is the InChIKey of ethyl 6-piperidin-3-yloxyhexanoate?
The InChIKey is CBAYKJLQUCNIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-16-13(15)8-4-3-5-10-17-12-7-6-9-14-11-12/h12,14H,2-11H2,1H3.
What are the key properties of ethyl 6-piperidin-3-yloxyhexanoate?
ethyl 6-piperidin-3-yloxyhexanoate has a molecular weight of 243.35 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-piperidin-3-yloxyhexanoate is sourced from PubChem (CID 106939322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).