3-(2-hydroxy-3-methoxypropyl)piperidin-2-one

C9H17NO3 — CID 104679223

IUPAC3-(2-hydroxy-3-methoxypropyl)piperidin-2-one
SMILESCOCC(O)CC1CCCNC1=O
InChIInChI=1S/C9H17NO3/c1-13-6-8(11)5-7-3-2-4-10-9(7)12/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyFNUNRZYNHJGODK-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds4

About 3-(2-hydroxy-3-methoxypropyl)piperidin-2-one

3-(2-hydroxy-3-methoxypropyl)piperidin-2-one (PubChem CID 104679223) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxypropyl)piperidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxypropyl)piperidin-2-one
PubChem CID104679223
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(2-hydroxy-3-methoxypropyl)piperidin-2-one
SMILESCOCC(O)CC1CCCNC1=O
InChIInChI=1S/C9H17NO3/c1-13-6-8(11)5-7-3-2-4-10-9(7)12/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyFNUNRZYNHJGODK-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methoxypropyl)piperidin-2-one?
The IUPAC name of 3-(2-hydroxy-3-methoxypropyl)piperidin-2-one (CID 104679223) is 3-(2-hydroxy-3-methoxypropyl)piperidin-2-one.
What is the SMILES notation for 3-(2-hydroxy-3-methoxypropyl)piperidin-2-one?
The canonical SMILES for 3-(2-hydroxy-3-methoxypropyl)piperidin-2-one is COCC(O)CC1CCCNC1=O.
What is the InChIKey of 3-(2-hydroxy-3-methoxypropyl)piperidin-2-one?
The InChIKey is FNUNRZYNHJGODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-6-8(11)5-7-3-2-4-10-9(7)12/h7-8,11H,2-6H2,1H3,(H,10,12).
What are the key properties of 3-(2-hydroxy-3-methoxypropyl)piperidin-2-one?
3-(2-hydroxy-3-methoxypropyl)piperidin-2-one has a molecular weight of 187.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methoxypropyl)piperidin-2-one is sourced from PubChem (CID 104679223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).