5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one

C15H19NO2 — CID 6057979

IUPAC5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one
SMILESCN1CC(C)(O)C(=O)CC1/C=C/c1ccccc1
InChIInChI=1S/C15H19NO2/c1-15(18)11-16(2)13(10-14(15)17)9-8-12-6-4-3-5-7-12/h3-9,13,18H,10-11H2,1-2H3/b9-8+
InChIKeyDHFSZVAQOILKKU-CMDGGOBGSA-N
MW245.32 g/mol
LogP1.72
Rot. Bonds2

About 5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one

5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one (PubChem CID 6057979) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one.

Molecular Properties

Compound Name5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one
PubChem CID6057979
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one
SMILESCN1CC(C)(O)C(=O)CC1/C=C/c1ccccc1
InChIInChI=1S/C15H19NO2/c1-15(18)11-16(2)13(10-14(15)17)9-8-12-6-4-3-5-7-12/h3-9,13,18H,10-11H2,1-2H3/b9-8+
InChIKeyDHFSZVAQOILKKU-CMDGGOBGSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one?
The IUPAC name of 5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one (CID 6057979) is 5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one.
What is the SMILES notation for 5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one?
The canonical SMILES for 5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one is CN1CC(C)(O)C(=O)CC1/C=C/c1ccccc1.
What is the InChIKey of 5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one?
The InChIKey is DHFSZVAQOILKKU-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(18)11-16(2)13(10-14(15)17)9-8-12-6-4-3-5-7-12/h3-9,13,18H,10-11H2,1-2H3/b9-8+.
What are the key properties of 5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one?
5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one has a molecular weight of 245.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,5-dimethyl-2-[(E)-2-phenylethenyl]piperidin-4-one is sourced from PubChem (CID 6057979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).