1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one

C20H23NO2 — CID 167714155

IUPAC1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one
SMILESCC(c1ccc(OCc2ccccc2)cc1)N1CCC(=O)CC1
InChIInChI=1S/C20H23NO2/c1-16(21-13-11-19(22)12-14-21)18-7-9-20(10-8-18)23-15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3
InChIKeyJUOJLNCHSXMWNY-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.99
Rot. Bonds5

About 1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one

1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one (PubChem CID 167714155) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one
PubChem CID167714155
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one
SMILESCC(c1ccc(OCc2ccccc2)cc1)N1CCC(=O)CC1
InChIInChI=1S/C20H23NO2/c1-16(21-13-11-19(22)12-14-21)18-7-9-20(10-8-18)23-15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3
InChIKeyJUOJLNCHSXMWNY-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one?
The IUPAC name of 1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one (CID 167714155) is 1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one?
The canonical SMILES for 1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one is CC(c1ccc(OCc2ccccc2)cc1)N1CCC(=O)CC1.
What is the InChIKey of 1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one?
The InChIKey is JUOJLNCHSXMWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16(21-13-11-19(22)12-14-21)18-7-9-20(10-8-18)23-15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3.
What are the key properties of 1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one?
1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one has a molecular weight of 309.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one is sourced from PubChem (CID 167714155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).