acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate

C12H23NO5 — CID 131719663

IUPACacetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate
SMILESCC(=O)O.CCOC(=O)COCC1CCNCC1
InChIInChI=1S/C10H19NO3.C2H4O2/c1-2-14-10(12)8-13-7-9-3-5-11-6-4-9;1-2(3)4/h9,11H,2-8H2,1H3;1H3,(H,3,4)
InChIKeyRYYCFFJCLYKLLG-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.66
Rot. Bonds5

About acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate

acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate (PubChem CID 131719663) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate.

Molecular Properties

Compound Nameacetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate
PubChem CID131719663
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nameacetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate
SMILESCC(=O)O.CCOC(=O)COCC1CCNCC1
InChIInChI=1S/C10H19NO3.C2H4O2/c1-2-14-10(12)8-13-7-9-3-5-11-6-4-9;1-2(3)4/h9,11H,2-8H2,1H3;1H3,(H,3,4)
InChIKeyRYYCFFJCLYKLLG-UHFFFAOYSA-N
XLogP0.66
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(piperidin-4-ylmethoxy)propanoate
CID 83212316
ethyl 4-(piperidin-4-ylmethoxy)butanoate
CID 71077908
N,N-diethyl-2-(piperidin-4-ylmethoxy)acetamide
CID 39062933
N-methyl-2-(piperidin-4-ylmethoxy)acetamide
CID 39062927
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
ethyl 2-(pyrrolidin-2-ylmethoxy)acetate
CID 106939447
2-(cyclopropylmethoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119444460
acetic acid;piperidin-4-amine
CID 172796704
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
4-(2-methylidenebutoxymethyl)piperidine
CID 66045029
2-(piperidin-4-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 39062936
ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate
CID 118951743

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate?
The IUPAC name of acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate (CID 131719663) is acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate.
What is the SMILES notation for acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate?
The canonical SMILES for acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate is CC(=O)O.CCOC(=O)COCC1CCNCC1.
What is the InChIKey of acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate?
The InChIKey is RYYCFFJCLYKLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C2H4O2/c1-2-14-10(12)8-13-7-9-3-5-11-6-4-9;1-2(3)4/h9,11H,2-8H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate?
acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate has a molecular weight of 261.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate is sourced from PubChem (CID 131719663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).