3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one

C20H23NO2 — CID 122209783

IUPAC3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one
SMILESO=C1C(Cc2ccccc2O)CCCN1CCc1ccccc1
InChIInChI=1S/C20H23NO2/c22-19-11-5-4-9-17(19)15-18-10-6-13-21(20(18)23)14-12-16-7-2-1-3-8-16/h1-5,7-9,11,18,22H,6,10,12-15H2
InChIKeyTWPSXBNSNFSFIZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.42
Rot. Bonds5

About 3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one

3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one (PubChem CID 122209783) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one
PubChem CID122209783
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one
SMILESO=C1C(Cc2ccccc2O)CCCN1CCc1ccccc1
InChIInChI=1S/C20H23NO2/c22-19-11-5-4-9-17(19)15-18-10-6-13-21(20(18)23)14-12-16-7-2-1-3-8-16/h1-5,7-9,11,18,22H,6,10,12-15H2
InChIKeyTWPSXBNSNFSFIZ-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125
3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741259
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one
CID 141063687
1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634689
1-(2-phenylethyl)-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
CID 68582866
1-benzyl-3-ethylpiperidin-2-one
CID 13440525
1-(2-phenylethyl)-3-(1-phenylselanylethenyl)azepan-2-one
CID 101476539
(3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one
CID 124953467
3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 59741246
(3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one
CID 92631748
3-[(4-methylcyclohepta-1,2,4,6-tetraen-1-yl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 143132409

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one (CID 122209783) is 3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one is O=C1C(Cc2ccccc2O)CCCN1CCc1ccccc1.
What is the InChIKey of 3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is TWPSXBNSNFSFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-19-11-5-4-9-17(19)15-18-10-6-13-21(20(18)23)14-12-16-7-2-1-3-8-16/h1-5,7-9,11,18,22H,6,10,12-15H2.
What are the key properties of 3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one?
3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 122209783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).