[3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C12H21NO3 — CID 103855486

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCCC(CCO)C1
InChIInChI=1S/C12H21NO3/c14-7-5-10-3-1-6-13(9-10)12(15)11-4-2-8-16-11/h10-11,14H,1-9H2/t10?,11-/m1/s1
InChIKeyOVSKHQAPPPQHKK-RRKGBCIJSA-N
MW227.30 g/mol
LogP0.79
Rot. Bonds3

About [3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 103855486) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID103855486
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCCC(CCO)C1
InChIInChI=1S/C12H21NO3/c14-7-5-10-3-1-6-13(9-10)12(15)11-4-2-8-16-11/h10-11,14H,1-9H2/t10?,11-/m1/s1
InChIKeyOVSKHQAPPPQHKK-RRKGBCIJSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39243248
[3-(2-chloroethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 63395711
N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94029567
[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278
[3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 168813787
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216903
[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 174348554
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 103855486) is [3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is OVSKHQAPPPQHKK-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H21NO3/c14-7-5-10-3-1-6-13(9-10)12(15)11-4-2-8-16-11/h10-11,14H,1-9H2/t10?,11-/m1/s1.
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 227.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 103855486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).