3-(2,3-dihydroxypropyl)piperidin-4-one

C8H15NO3 — CID 114451721

IUPAC3-(2,3-dihydroxypropyl)piperidin-4-one
SMILESO=C1CCNCC1CC(O)CO
InChIInChI=1S/C8H15NO3/c10-5-7(11)3-6-4-9-2-1-8(6)12/h6-7,9-11H,1-5H2
InChIKeyROEZNIMISPQMON-UHFFFAOYSA-N
MW173.21 g/mol
LogP-1.09
Rot. Bonds3

About 3-(2,3-dihydroxypropyl)piperidin-4-one

3-(2,3-dihydroxypropyl)piperidin-4-one (PubChem CID 114451721) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)piperidin-4-one.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)piperidin-4-one
PubChem CID114451721
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-(2,3-dihydroxypropyl)piperidin-4-one
SMILESO=C1CCNCC1CC(O)CO
InChIInChI=1S/C8H15NO3/c10-5-7(11)3-6-4-9-2-1-8(6)12/h6-7,9-11H,1-5H2
InChIKeyROEZNIMISPQMON-UHFFFAOYSA-N
XLogP-1.09
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 114451573
3-(hydroxymethyl)piperidin-4-one
CID 154392175
3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one
CID 106991328
3-(2,3-dihydroxypropyl)oxan-4-one
CID 106468875
(3R)-3-(cyclopropylmethyl)piperidin-4-one
CID 96890245
3-(2-cyclopropylethyl)piperidin-4-one
CID 114451692
3-but-3-ynylpiperidin-4-one
CID 114451562
[1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride
CID 174589840
3-pent-4-ynylpiperidin-4-one
CID 114451722
3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one
CID 145128278
3-(3-methoxy-3-methylbutyl)piperidin-4-one
CID 103034534
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)piperidin-4-one?
The IUPAC name of 3-(2,3-dihydroxypropyl)piperidin-4-one (CID 114451721) is 3-(2,3-dihydroxypropyl)piperidin-4-one.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)piperidin-4-one?
The canonical SMILES for 3-(2,3-dihydroxypropyl)piperidin-4-one is O=C1CCNCC1CC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)piperidin-4-one?
The InChIKey is ROEZNIMISPQMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-5-7(11)3-6-4-9-2-1-8(6)12/h6-7,9-11H,1-5H2.
What are the key properties of 3-(2,3-dihydroxypropyl)piperidin-4-one?
3-(2,3-dihydroxypropyl)piperidin-4-one has a molecular weight of 173.21 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)piperidin-4-one is sourced from PubChem (CID 114451721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).