(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone

C13H15BrFNO2 — CID 80662755

IUPAC(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)N1CCC(Br)CC1
InChIInChI=1S/C13H15BrFNO2/c1-18-11-4-2-3-10(15)12(11)13(17)16-7-5-9(14)6-8-16/h2-4,9H,5-8H2,1H3
InChIKeyZVDJJVQXYSVVIQ-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.83
Rot. Bonds2

About (4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone

(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone (PubChem CID 80662755) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is (4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
PubChem CID80662755
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)N1CCC(Br)CC1
InChIInChI=1S/C13H15BrFNO2/c1-18-11-4-2-3-10(15)12(11)13(17)16-7-5-9(14)6-8-16/h2-4,9H,5-8H2,1H3
InChIKeyZVDJJVQXYSVVIQ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65433856
[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65435015
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119934296
(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 81483168
(2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone
CID 70720752
(2-fluoro-6-methoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999724
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 56909441
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70748094
2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid
CID 65434176

Frequently Asked Questions

What is the IUPAC name of (4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The IUPAC name of (4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone (CID 80662755) is (4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone.
What is the SMILES notation for (4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The canonical SMILES for (4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone is COc1cccc(F)c1C(=O)N1CCC(Br)CC1.
What is the InChIKey of (4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The InChIKey is ZVDJJVQXYSVVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-18-11-4-2-3-10(15)12(11)13(17)16-7-5-9(14)6-8-16/h2-4,9H,5-8H2,1H3.
What are the key properties of (4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone?
(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone has a molecular weight of 316.17 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone is sourced from PubChem (CID 80662755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).