(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C14H15BrF3NO2 — CID 78987895

IUPAC(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H15BrF3NO2/c1-21-12-7-10(15)4-5-11(12)13(20)19-6-2-3-9(8-19)14(16,17)18/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyIBLSAOMJJATRQT-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.87
Rot. Bonds2

About (4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 78987895) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID78987895
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H15BrF3NO2/c1-21-12-7-10(15)4-5-11(12)13(20)19-6-2-3-9(8-19)14(16,17)18/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyIBLSAOMJJATRQT-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 25161591
(5-bromo-2-iodophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103602631
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
3-[(3S)-1-(4-bromo-2-methoxybenzoyl)piperidin-3-yl]propanoic acid
CID 124684718
(4-amino-5-chloro-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119682788
(6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 172654886
(4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 81344910
(4-bromo-2-methoxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119637081
1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680
N-(2-aminoethyl)-1-(4-bromo-2-methoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480740
1-(4-bromo-2-methoxybenzoyl)azetidine-3-carboxylic acid
CID 115368654
(4-bromo-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478388

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 78987895) is (4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is COc1cc(Br)ccc1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is IBLSAOMJJATRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c1-21-12-7-10(15)4-5-11(12)13(20)19-6-2-3-9(8-19)14(16,17)18/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 366.18 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 78987895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).