[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone

C22H27NO4 — CID 155991838

IUPAC[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(O)(COc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C22H27NO4/c1-16-4-7-20(14-17(16)2)27-15-22(25)10-12-23(13-11-22)21(24)18-5-8-19(26-3)9-6-18/h4-9,14,25H,10-13,15H2,1-3H3
InChIKeyRIZYTCLTTKGNSK-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.36
Rot. Bonds5

About [4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone

[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 155991838) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is [4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID155991838
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(O)(COc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C22H27NO4/c1-16-4-7-20(14-17(16)2)27-15-22(25)10-12-23(13-11-22)21(24)18-5-8-19(26-3)9-6-18/h4-9,14,25H,10-13,15H2,1-3H3
InChIKeyRIZYTCLTTKGNSK-UHFFFAOYSA-N
XLogP3.36
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 17335458
(3-fluoro-4-methylphenyl)-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]methanone
CID 155991713
[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 894880
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108935291
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552968
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108549926
4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid
CID 107671203
2-(2,5-dimethylphenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110802481
1-[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 155991776
3-[(4-bromophenoxy)methyl]-1-(4-methoxybenzoyl)pyrrolidine-3-carbaldehyde
CID 171833383
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone (CID 155991838) is [4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(O)(COc3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of [4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is RIZYTCLTTKGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-16-4-7-20(14-17(16)2)27-15-22(25)10-12-23(13-11-22)21(24)18-5-8-19(26-3)9-6-18/h4-9,14,25H,10-13,15H2,1-3H3.
What are the key properties of [4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 369.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 155991838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).