3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one

C16H21NO3 — CID 3669269

IUPAC3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one
SMILESO=C1OCCC1C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c18-15-14(6-11-20-15)16(19)7-9-17(10-8-16)12-13-4-2-1-3-5-13/h1-5,14,19H,6-12H2
InChIKeyLSABJPIDIAERGU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.58
Rot. Bonds3

About 3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one

3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one (PubChem CID 3669269) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one
PubChem CID3669269
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one
SMILESO=C1OCCC1C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c18-15-14(6-11-20-15)16(19)7-9-17(10-8-16)12-13-4-2-1-3-5-13/h1-5,14,19H,6-12H2
InChIKeyLSABJPIDIAERGU-UHFFFAOYSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one?
The IUPAC name of 3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one (CID 3669269) is 3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one.
What is the SMILES notation for 3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one?
The canonical SMILES for 3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one is O=C1OCCC1C1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one?
The InChIKey is LSABJPIDIAERGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15-14(6-11-20-15)16(19)7-9-17(10-8-16)12-13-4-2-1-3-5-13/h1-5,14,19H,6-12H2.
What are the key properties of 3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one?
3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-4-hydroxypiperidin-4-yl)oxolan-2-one is sourced from PubChem (CID 3669269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).