2-propoxyethyl 2-piperidin-3-ylacetate

C12H23NO3 — CID 63686889

IUPAC2-propoxyethyl 2-piperidin-3-ylacetate
SMILESCCCOCCOC(=O)CC1CCCNC1
InChIInChI=1S/C12H23NO3/c1-2-6-15-7-8-16-12(14)9-11-4-3-5-13-10-11/h11,13H,2-10H2,1H3
InChIKeyDMSXCOWBRWYNQD-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.35
Rot. Bonds7

About 2-propoxyethyl 2-piperidin-3-ylacetate

2-propoxyethyl 2-piperidin-3-ylacetate (PubChem CID 63686889) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-propoxyethyl 2-piperidin-3-ylacetate.

Molecular Properties

Compound Name2-propoxyethyl 2-piperidin-3-ylacetate
PubChem CID63686889
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-propoxyethyl 2-piperidin-3-ylacetate
SMILESCCCOCCOC(=O)CC1CCCNC1
InChIInChI=1S/C12H23NO3/c1-2-6-15-7-8-16-12(14)9-11-4-3-5-13-10-11/h11,13H,2-10H2,1H3
InChIKeyDMSXCOWBRWYNQD-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.35
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

2-ethoxyethyl 2-piperidin-3-ylacetate
CID 62690313
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
ethyl 2-(azocan-5-yl)acetate
CID 123423074
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
2,2,2-trifluoroethyl 2-piperidin-3-ylacetate
CID 102548856
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
butan-2-yl 2-piperidin-3-ylacetate
CID 62690309
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
cyclobutyl 2-piperidin-3-ylacetate
CID 62690484
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-piperidin-3-ylacetate?
The IUPAC name of 2-propoxyethyl 2-piperidin-3-ylacetate (CID 63686889) is 2-propoxyethyl 2-piperidin-3-ylacetate.
What is the SMILES notation for 2-propoxyethyl 2-piperidin-3-ylacetate?
The canonical SMILES for 2-propoxyethyl 2-piperidin-3-ylacetate is CCCOCCOC(=O)CC1CCCNC1.
What is the InChIKey of 2-propoxyethyl 2-piperidin-3-ylacetate?
The InChIKey is DMSXCOWBRWYNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-6-15-7-8-16-12(14)9-11-4-3-5-13-10-11/h11,13H,2-10H2,1H3.
What are the key properties of 2-propoxyethyl 2-piperidin-3-ylacetate?
2-propoxyethyl 2-piperidin-3-ylacetate has a molecular weight of 229.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-piperidin-3-ylacetate is sourced from PubChem (CID 63686889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).