[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone

C12H21NO3 — CID 112537686

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESCC(O)C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C12H21NO3/c1-9(14)10-2-5-13(6-3-10)12(15)11-4-7-16-8-11/h9-11,14H,2-8H2,1H3
InChIKeyNWJUVHIOPMPGDN-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.64
Rot. Bonds2

About [4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 112537686) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID112537686
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESCC(O)C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C12H21NO3/c1-9(14)10-2-5-13(6-3-10)12(15)11-4-7-16-8-11/h9-11,14H,2-8H2,1H3
InChIKeyNWJUVHIOPMPGDN-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone
CID 106836620
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95342573
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
[4-(2-hydroxyethyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 94191646
[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95325634
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone (CID 112537686) is [4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone is CC(O)C1CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is NWJUVHIOPMPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(14)10-2-5-13(6-3-10)12(15)11-4-7-16-8-11/h9-11,14H,2-8H2,1H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 227.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 112537686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).