(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C13H23NO3 — CID 114104218

IUPAC(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCC1OCCC1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H23NO3/c1-2-12-11(5-7-17-12)13(16)14-6-3-4-10(8-14)9-15/h10-12,15H,2-9H2,1H3
InChIKeyDKRZVZLPUZGEGO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.03
Rot. Bonds3

About (2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 114104218) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID114104218
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCC1OCCC1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H23NO3/c1-2-12-11(5-7-17-12)13(16)14-6-3-4-10(8-14)9-15/h10-12,15H,2-9H2,1H3
InChIKeyDKRZVZLPUZGEGO-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone
CID 114104298
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39243248
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79760320
[4-(ethylamino)oxolan-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66260210
methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 114104347
1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 114105213
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 60848400
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79759313
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102

Frequently Asked Questions

What is the IUPAC name of (2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 114104218) is (2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is CCC1OCCC1C(=O)N1CCCC(CO)C1.
What is the InChIKey of (2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is DKRZVZLPUZGEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-12-11(5-7-17-12)13(16)14-6-3-4-10(8-14)9-15/h10-12,15H,2-9H2,1H3.
What are the key properties of (2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 241.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 114104218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).