6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one

C10H18N2O3 — CID 117274614

IUPAC6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one
SMILESO=C1OC(CO)CCN1C1CCNCC1
InChIInChI=1S/C10H18N2O3/c13-7-9-3-6-12(10(14)15-9)8-1-4-11-5-2-8/h8-9,11,13H,1-7H2
InChIKeyJUHDVFQCIDYBCN-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.06
Rot. Bonds2

About 6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one

6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one (PubChem CID 117274614) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one
PubChem CID117274614
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one
SMILESO=C1OC(CO)CCN1C1CCNCC1
InChIInChI=1S/C10H18N2O3/c13-7-9-3-6-12(10(14)15-9)8-1-4-11-5-2-8/h8-9,11,13H,1-7H2
InChIKeyJUHDVFQCIDYBCN-UHFFFAOYSA-N
XLogP-0.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid
CID 22377794
2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid
CID 117011037
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 90189648
(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 115056583
3-piperidin-4-yl-1,3-oxazinan-2-one
CID 22137522
3-(3-cyclopentyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
CID 117011098
(5R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-5-carboxylic acid
CID 115056589
3-(3-cycloheptyl-2-oxo-1,3-oxazinan-6-yl)propanoic acid
CID 117011111
(5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 115056585
tert-butyl 4-[6-(aminomethyl)-2-oxo-1,3-oxazinan-3-yl]piperidine-1-carboxylate
CID 117274618
4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one
CID 168662980
3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011618

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one?
The IUPAC name of 6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one (CID 117274614) is 6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one?
The canonical SMILES for 6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one is O=C1OC(CO)CCN1C1CCNCC1.
What is the InChIKey of 6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one?
The InChIKey is JUHDVFQCIDYBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c13-7-9-3-6-12(10(14)15-9)8-1-4-11-5-2-8/h8-9,11,13H,1-7H2.
What are the key properties of 6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one?
6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one has a molecular weight of 214.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 117274614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).