ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate

C12H23NO3 — CID 114338113

IUPACethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCCCC1CC(C)O
InChIInChI=1S/C12H23NO3/c1-3-16-12(15)9-13-7-5-4-6-11(13)8-10(2)14/h10-11,14H,3-9H2,1-2H3
InChIKeyIIOOGOOHBPZFAJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds5

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

ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate (PubChem CID 114338113) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
PubChem CID114338113
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCCCC1CC(C)O
InChIInChI=1S/C12H23NO3/c1-3-16-12(15)9-13-7-5-4-6-11(13)8-10(2)14/h10-11,14H,3-9H2,1-2H3
InChIKeyIIOOGOOHBPZFAJ-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
CID 51697484
ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
CID 114337967
N-cyclopropyl-N-ethyl-2-[2-(2-hydroxypropyl)piperidin-1-yl]acetamide
CID 114338146
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone
CID 114338646
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 56933985
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 114338272
ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate
CID 115758761
1-[1-(cyclobutylmethyl)piperidin-2-yl]propan-2-ol
CID 114338188
1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 104893914

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate (CID 114338113) is ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate is CCOC(=O)CN1CCCCC1CC(C)O.
What is the InChIKey of ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate?
The InChIKey is IIOOGOOHBPZFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-16-12(15)9-13-7-5-4-6-11(13)8-10(2)14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate?
ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate is sourced from PubChem (CID 114338113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).