(2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone

C20H23NO4 — CID 46215195

IUPAC(2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCO[C@H](C(=O)N1CCC(c2ccc(O)cc2O)CC1)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-25-19(15-5-3-2-4-6-15)20(24)21-11-9-14(10-12-21)17-8-7-16(22)13-18(17)23/h2-8,13-14,19,22-23H,9-12H2,1H3/t19-/m0/s1
InChIKeyNAGMDSVDSFAPKO-IBGZPJMESA-N
MW341.41 g/mol
LogP3.19
Rot. Bonds4

About (2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone

(2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone (PubChem CID 46215195) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name(2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone
PubChem CID46215195
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCO[C@H](C(=O)N1CCC(c2ccc(O)cc2O)CC1)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-25-19(15-5-3-2-4-6-15)20(24)21-11-9-14(10-12-21)17-8-7-16(22)13-18(17)23/h2-8,13-14,19,22-23H,9-12H2,1H3/t19-/m0/s1
InChIKeyNAGMDSVDSFAPKO-IBGZPJMESA-N
XLogP3.19
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one
CID 67423273
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 46215888
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
CID 90653649
N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide
CID 94872067
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 70747389

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone?
The IUPAC name of (2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone (CID 46215195) is (2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone.
What is the SMILES notation for (2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone?
The canonical SMILES for (2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone is CO[C@H](C(=O)N1CCC(c2ccc(O)cc2O)CC1)c1ccccc1.
What is the InChIKey of (2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone?
The InChIKey is NAGMDSVDSFAPKO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO4/c1-25-19(15-5-3-2-4-6-15)20(24)21-11-9-14(10-12-21)17-8-7-16(22)13-18(17)23/h2-8,13-14,19,22-23H,9-12H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone?
(2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone has a molecular weight of 341.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone is sourced from PubChem (CID 46215195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).