[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone

C13H23NO3 — CID 112537685

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCC(O)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C13H23NO3/c1-10(15)11-2-6-14(7-3-11)13(16)12-4-8-17-9-5-12/h10-12,15H,2-9H2,1H3
InChIKeyZLLPMWWWGOCHMY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.03
Rot. Bonds2

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

[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 112537685) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID112537685
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCC(O)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C13H23NO3/c1-10(15)11-2-6-14(7-3-11)13(16)12-4-8-17-9-5-12/h10-12,15H,2-9H2,1H3
InChIKeyZLLPMWWWGOCHMY-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 112537686
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 121200652
cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 106837048
azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835725
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone (CID 112537685) is [4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone is CC(O)C1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is ZLLPMWWWGOCHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(15)11-2-6-14(7-3-11)13(16)12-4-8-17-9-5-12/h10-12,15H,2-9H2,1H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 241.33 g/mol, XLogP of 1.03, 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]-(oxan-4-yl)methanone is sourced from PubChem (CID 112537685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).