4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one

C18H22N2O2 — CID 138382787

IUPAC4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2CCN(CCc3ccc(O)cc3)CC2)cc[nH]1
InChIInChI=1S/C18H22N2O2/c21-17-3-1-14(2-4-17)6-10-20-11-7-15(8-12-20)16-5-9-19-18(22)13-16/h1-5,9,13,15,21H,6-8,10-12H2,(H,19,22)
InChIKeyMRPPBQZRNUWYRP-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.50
Rot. Bonds4

About 4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one

4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138382787) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138382787
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2CCN(CCc3ccc(O)cc3)CC2)cc[nH]1
InChIInChI=1S/C18H22N2O2/c21-17-3-1-14(2-4-17)6-10-20-11-7-15(8-12-20)16-5-9-19-18(22)13-16/h1-5,9,13,15,21H,6-8,10-12H2,(H,19,22)
InChIKeyMRPPBQZRNUWYRP-UHFFFAOYSA-N
XLogP2.50
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one (CID 138382787) is 4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one is O=c1cc(C2CCN(CCc3ccc(O)cc3)CC2)cc[nH]1.
What is the InChIKey of 4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is MRPPBQZRNUWYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17-3-1-14(2-4-17)6-10-20-11-7-15(8-12-20)16-5-9-19-18(22)13-16/h1-5,9,13,15,21H,6-8,10-12H2,(H,19,22).
What are the key properties of 4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138382787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).