ethyl 2-(2-piperidin-2-ylethoxy)pentanoate

C14H27NO3 — CID 106939616

IUPACethyl 2-(2-piperidin-2-ylethoxy)pentanoate
SMILESCCCC(OCCC1CCCCN1)C(=O)OCC
InChIInChI=1S/C14H27NO3/c1-3-7-13(14(16)17-4-2)18-11-9-12-8-5-6-10-15-12/h12-13,15H,3-11H2,1-2H3
InChIKeyFXCXZNQHRMLPOS-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.27
Rot. Bonds8

About ethyl 2-(2-piperidin-2-ylethoxy)pentanoate

ethyl 2-(2-piperidin-2-ylethoxy)pentanoate (PubChem CID 106939616) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-(2-piperidin-2-ylethoxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2-piperidin-2-ylethoxy)pentanoate
PubChem CID106939616
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-(2-piperidin-2-ylethoxy)pentanoate
SMILESCCCC(OCCC1CCCCN1)C(=O)OCC
InChIInChI=1S/C14H27NO3/c1-3-7-13(14(16)17-4-2)18-11-9-12-8-5-6-10-15-12/h12-13,15H,3-11H2,1-2H3
InChIKeyFXCXZNQHRMLPOS-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
CID 106939450
2-(pyrrolidin-2-ylmethoxy)pentanoic acid
CID 106939418
(2S)-2-(2-propan-2-yloxyethyl)piperidine
CID 28802472
2-[2-(3,3-diethoxypropoxy)ethyl]piperidine
CID 113320298
ethyl 3-(2-piperidin-2-ylethylsulfanyl)propanoate
CID 134086079
ethyl 2-(piperidin-3-ylmethoxy)pentanoate
CID 83212553
2-(pentan-2-yloxymethyl)piperidine
CID 102981941
2-[(2R)-piperidin-2-yl]ethyl cyclopentanecarboxylate
CID 86319749
ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
CID 56829802
ethyl pyrrolidin-2-ylmethyl carbonate
CID 79337609
ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86320486
2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine
CID 66275246

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-piperidin-2-ylethoxy)pentanoate?
The IUPAC name of ethyl 2-(2-piperidin-2-ylethoxy)pentanoate (CID 106939616) is ethyl 2-(2-piperidin-2-ylethoxy)pentanoate.
What is the SMILES notation for ethyl 2-(2-piperidin-2-ylethoxy)pentanoate?
The canonical SMILES for ethyl 2-(2-piperidin-2-ylethoxy)pentanoate is CCCC(OCCC1CCCCN1)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-piperidin-2-ylethoxy)pentanoate?
The InChIKey is FXCXZNQHRMLPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-7-13(14(16)17-4-2)18-11-9-12-8-5-6-10-15-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of ethyl 2-(2-piperidin-2-ylethoxy)pentanoate?
ethyl 2-(2-piperidin-2-ylethoxy)pentanoate has a molecular weight of 257.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-piperidin-2-ylethoxy)pentanoate is sourced from PubChem (CID 106939616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).