1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone

C21H25NO4 — CID 10836668

IUPAC1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCC(O)(c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C21H25NO4/c1-25-17-8-9-18(20(14-17)26-2)19(23)15-22-12-10-21(24,11-13-22)16-6-4-3-5-7-16/h3-9,14,24H,10-13,15H2,1-2H3
InChIKeyYJKNFHCXOZQLPM-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.87
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone

1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone (PubChem CID 10836668) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
PubChem CID10836668
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCC(O)(c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C21H25NO4/c1-25-17-8-9-18(20(14-17)26-2)19(23)15-22-12-10-21(24,11-13-22)16-6-4-3-5-7-16/h3-9,14,24H,10-13,15H2,1-2H3
InChIKeyYJKNFHCXOZQLPM-UHFFFAOYSA-N
XLogP2.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide
CID 50980551
2-(4-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 81103470
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 3053609
2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1446395
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methoxyphenyl)ethanone
CID 107405297
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-[4-hydroxy-4-[4-(methoxymethyl)phenyl]piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethanone
CID 69451649
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone (CID 10836668) is 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone is COc1ccc(C(=O)CN2CCC(O)(c3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
The InChIKey is YJKNFHCXOZQLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-25-17-8-9-18(20(14-17)26-2)19(23)15-22-12-10-21(24,11-13-22)16-6-4-3-5-7-16/h3-9,14,24H,10-13,15H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone has a molecular weight of 355.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 10836668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).