(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone

C19H20BrNO3 — CID 44781860

IUPAC(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C19H20BrNO3/c1-23-16-6-8-17(9-7-16)24-18-10-12-21(13-11-18)19(22)14-2-4-15(20)5-3-14/h2-9,18H,10-13H2,1H3
InChIKeyWCGUCRUPZPSTCG-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.14
Rot. Bonds4

About (4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone

(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone (PubChem CID 44781860) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
PubChem CID44781860
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C19H20BrNO3/c1-23-16-6-8-17(9-7-16)24-18-10-12-21(13-11-18)19(22)14-2-4-15(20)5-3-14/h2-9,18H,10-13H2,1H3
InChIKeyWCGUCRUPZPSTCG-UHFFFAOYSA-N
XLogP4.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 166377497
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
(1-hydroxypyridin-1-ium-4-yl)-[(3R)-3-(4-methoxyphenoxy)pyrrolidin-1-yl]methanone
CID 58357528
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 84608470
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
(4-bromophenyl)-[(3R)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883377

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone (CID 44781860) is (4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone is COc1ccc(OC2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of (4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The InChIKey is WCGUCRUPZPSTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-23-16-6-8-17(9-7-16)24-18-10-12-21(13-11-18)19(22)14-2-4-15(20)5-3-14/h2-9,18H,10-13H2,1H3.
What are the key properties of (4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone has a molecular weight of 390.28 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 44781860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).