1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one

C20H23NO4 — CID 67423273

IUPAC1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one
SMILESO=C(C(O)Cc1ccccc1)N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C20H23NO4/c22-16-6-7-17(18(23)13-16)15-8-10-21(11-9-15)20(25)19(24)12-14-4-2-1-3-5-14/h1-7,13,15,19,22-24H,8-12H2
InChIKeyFIOISUCHFVWEGI-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.41
Rot. Bonds4

About 1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one

1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one (PubChem CID 67423273) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one
PubChem CID67423273
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one
SMILESO=C(C(O)Cc1ccccc1)N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C20H23NO4/c22-16-6-7-17(18(23)13-16)15-8-10-21(11-9-15)20(25)19(24)12-14-4-2-1-3-5-14/h1-7,13,15,19,22-24H,8-12H2
InChIKeyFIOISUCHFVWEGI-UHFFFAOYSA-N
XLogP2.41
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 46215195
(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 46215888
(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one
CID 15172767
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70784494
(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one
CID 71048838
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone
CID 23587180
2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 71922355
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone
CID 140512858
(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 166451739

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one (CID 67423273) is 1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one is O=C(C(O)Cc1ccccc1)N1CCC(c2ccc(O)cc2O)CC1.
What is the InChIKey of 1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one?
The InChIKey is FIOISUCHFVWEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-16-6-7-17(18(23)13-16)15-8-10-21(11-9-15)20(25)19(24)12-14-4-2-1-3-5-14/h1-7,13,15,19,22-24H,8-12H2.
What are the key properties of 1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one?
1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one has a molecular weight of 341.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one is sourced from PubChem (CID 67423273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).