oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate

C12H21NO4 — CID 63869920

IUPACoxolan-2-ylmethyl 2-piperidin-4-yloxyacetate
SMILESO=C(COC1CCNCC1)OCC1CCCO1
InChIInChI=1S/C12H21NO4/c14-12(17-8-11-2-1-7-15-11)9-16-10-3-5-13-6-4-10/h10-11,13H,1-9H2
InChIKeyRKZBOSIGTHPXAC-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.48
Rot. Bonds5

About oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate

oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate (PubChem CID 63869920) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-piperidin-4-yloxyacetate
PubChem CID63869920
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameoxolan-2-ylmethyl 2-piperidin-4-yloxyacetate
SMILESO=C(COC1CCNCC1)OCC1CCCO1
InChIInChI=1S/C12H21NO4/c14-12(17-8-11-2-1-7-15-11)9-16-10-3-5-13-6-4-10/h10-11,13H,1-9H2
InChIKeyRKZBOSIGTHPXAC-UHFFFAOYSA-N
XLogP0.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-2-ylmethyl 2-cyclohexyloxyacetate
CID 78888478
4-(oxolan-2-ylmethoxy)piperidine;hydrochloride
CID 45074945
oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658397
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl pyrrolidine-3-carboxylate
CID 63031488
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
(3S)-3-[[(2R)-oxolan-2-yl]methoxy]pyrrolidine
CID 26191909
propyl 2-piperidin-4-yloxyacetate
CID 63871576
oxolan-2-ylmethyl (2R)-piperidine-2-carboxylate
CID 79034768
oxolan-2-ylmethyl piperidine-2-carboxylate
CID 61279092
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653429
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate?
The IUPAC name of oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate (CID 63869920) is oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate.
What is the SMILES notation for oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate?
The canonical SMILES for oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate is O=C(COC1CCNCC1)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate?
The InChIKey is RKZBOSIGTHPXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c14-12(17-8-11-2-1-7-15-11)9-16-10-3-5-13-6-4-10/h10-11,13H,1-9H2.
What are the key properties of oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate?
oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate has a molecular weight of 243.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate is sourced from PubChem (CID 63869920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).