2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone

C20H23NO4 — CID 70729934

IUPAC2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
SMILESCOc1ccc(OC2CCN(C(=O)Cc3ccccc3O)CC2)cc1
InChIInChI=1S/C20H23NO4/c1-24-16-6-8-17(9-7-16)25-18-10-12-21(13-11-18)20(23)14-15-4-2-3-5-19(15)22/h2-9,18,22H,10-14H2,1H3
InChIKeyNUZHRJPPRKFRNN-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone

2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone (PubChem CID 70729934) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
PubChem CID70729934
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
SMILESCOc1ccc(OC2CCN(C(=O)Cc3ccccc3O)CC2)cc1
InChIInChI=1S/C20H23NO4/c1-24-16-6-8-17(9-7-16)25-18-10-12-21(13-11-18)20(23)14-15-4-2-3-5-19(15)22/h2-9,18,22H,10-14H2,1H3
InChIKeyNUZHRJPPRKFRNN-UHFFFAOYSA-N
XLogP3.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 110396830
3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 110396740
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78967459
2-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]ethyl]benzoic acid
CID 58347900
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone (CID 70729934) is 2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone is COc1ccc(OC2CCN(C(=O)Cc3ccccc3O)CC2)cc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The InChIKey is NUZHRJPPRKFRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-24-16-6-8-17(9-7-16)25-18-10-12-21(13-11-18)20(23)14-15-4-2-3-5-19(15)22/h2-9,18,22H,10-14H2,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 70729934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).