(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone

C13H15BrFNO2 — CID 103706547

IUPAC(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C13H15BrFNO2/c1-18-10-4-6-16(7-5-10)13(17)9-2-3-12(15)11(14)8-9/h2-3,8,10H,4-7H2,1H3
InChIKeyWQIOPRBRDMYAAC-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.84
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone

(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 103706547) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID103706547
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C13H15BrFNO2/c1-18-10-4-6-16(7-5-10)13(17)9-2-3-12(15)11(14)8-9/h2-3,8,10H,4-7H2,1H3
InChIKeyWQIOPRBRDMYAAC-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709
(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677604
(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119376292
1-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 103706279
(3-bromo-4-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647709
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(3-bromo-4-fluorophenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 103707510
[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 103706428
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119934528
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone (CID 103706547) is (3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is WQIOPRBRDMYAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-18-10-4-6-16(7-5-10)13(17)9-2-3-12(15)11(14)8-9/h2-3,8,10H,4-7H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone?
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 316.17 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 103706547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).