5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one

C16H22N2O3 — CID 154095218

IUPAC5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CCN2CCC(O)(c3ccccc3)CC2)O1
InChIInChI=1S/C16H22N2O3/c19-15-17-12-14(21-15)6-9-18-10-7-16(20,8-11-18)13-4-2-1-3-5-13/h1-5,14,20H,6-12H2,(H,17,19)
InChIKeyITUNMWXDNNJRJO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.47
Rot. Bonds4

About 5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one

5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 154095218) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID154095218
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CCN2CCC(O)(c3ccccc3)CC2)O1
InChIInChI=1S/C16H22N2O3/c19-15-17-12-14(21-15)6-9-18-10-7-16(20,8-11-18)13-4-2-1-3-5-13/h1-5,14,20H,6-12H2,(H,17,19)
InChIKeyITUNMWXDNNJRJO-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one (CID 154095218) is 5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one is O=C1NCC(CCN2CCC(O)(c3ccccc3)CC2)O1.
What is the InChIKey of 5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is ITUNMWXDNNJRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15-17-12-14(21-15)6-9-18-10-7-16(20,8-11-18)13-4-2-1-3-5-13/h1-5,14,20H,6-12H2,(H,17,19).
What are the key properties of 5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one?
5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154095218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).