3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one

C13H23NO3 — CID 107228846

IUPAC3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one
SMILESO=C1CCOCC1CN1CCCC(CCO)C1
InChIInChI=1S/C13H23NO3/c15-6-3-11-2-1-5-14(8-11)9-12-10-17-7-4-13(12)16/h11-12,15H,1-10H2
InChIKeyDPBGWZNTJGNEKP-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.69
Rot. Bonds4

About 3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one

3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one (PubChem CID 107228846) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one.

Molecular Properties

Compound Name3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one
PubChem CID107228846
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one
SMILESO=C1CCOCC1CN1CCCC(CCO)C1
InChIInChI=1S/C13H23NO3/c15-6-3-11-2-1-5-14(8-11)9-12-10-17-7-4-13(12)16/h11-12,15H,1-10H2
InChIKeyDPBGWZNTJGNEKP-UHFFFAOYSA-N
XLogP0.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 107228824
3-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-one
CID 103057762
5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
CID 107228813
3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one
CID 103057909
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-4-one
CID 103058077
3-(thiomorpholin-4-ylmethyl)oxan-4-one
CID 103057646
3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-one
CID 103058177
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxan-4-one
CID 103058212
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-3-yl]ethanol
CID 112734129
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-4-one
CID 103057804
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-one
CID 103058042
4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 107229016

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one?
The IUPAC name of 3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one (CID 107228846) is 3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one.
What is the SMILES notation for 3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one?
The canonical SMILES for 3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one is O=C1CCOCC1CN1CCCC(CCO)C1.
What is the InChIKey of 3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one?
The InChIKey is DPBGWZNTJGNEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-6-3-11-2-1-5-14(8-11)9-12-10-17-7-4-13(12)16/h11-12,15H,1-10H2.
What are the key properties of 3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one?
3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one has a molecular weight of 241.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one is sourced from PubChem (CID 107228846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).