ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate

C12H23NO3 — CID 71070343

IUPACethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(CCOC)CC1
InChIInChI=1S/C12H23NO3/c1-3-16-12(14)10-11-4-6-13(7-5-11)8-9-15-2/h11H,3-10H2,1-2H3
InChIKeyGTNRIRSWZIIFRC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.30
Rot. Bonds6

About ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate

ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate (PubChem CID 71070343) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate
PubChem CID71070343
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(CCOC)CC1
InChIInChI=1S/C12H23NO3/c1-3-16-12(14)10-11-4-6-13(7-5-11)8-9-15-2/h11H,3-10H2,1-2H3
InChIKeyGTNRIRSWZIIFRC-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate (CID 71070343) is ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate is CCOC(=O)CC1CCN(CCOC)CC1.
What is the InChIKey of ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate?
The InChIKey is GTNRIRSWZIIFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-16-12(14)10-11-4-6-13(7-5-11)8-9-15-2/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate?
ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-methoxyethyl)piperidin-4-yl]acetate is sourced from PubChem (CID 71070343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).