(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone

C13H15BrFNO2 — CID 103733511

IUPAC(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2c(F)cccc2Br)C1
InChIInChI=1S/C13H15BrFNO2/c1-18-9-4-3-7-16(8-9)13(17)12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyHINHZVAVJIJPNB-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.84
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone

(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone (PubChem CID 103733511) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
PubChem CID103733511
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2c(F)cccc2Br)C1
InChIInChI=1S/C13H15BrFNO2/c1-18-9-4-3-7-16(8-9)13(17)12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyHINHZVAVJIJPNB-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

methyl (3S)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxylate
CID 103733467
1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103733703
(2-bromo-6-fluorophenyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 115722507
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone
CID 115737432
(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(2-bromo-6-fluorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 113265714
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone;hydrochloride
CID 119592569
(3-bromo-2-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533814
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 124569711
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone (CID 103733511) is (2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)c2c(F)cccc2Br)C1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is HINHZVAVJIJPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-18-9-4-3-7-16(8-9)13(17)12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone?
(2-bromo-6-fluorophenyl)-(3-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 (2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 103733511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).