1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone

C14H18BrNO2 — CID 102960713

IUPAC1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCCN(CC(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrNO2/c1-18-13-3-2-8-16(9-13)10-14(17)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKeyFCGUPOABZCJYSG-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.74
Rot. Bonds4

About 1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone

1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone (PubChem CID 102960713) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone
PubChem CID102960713
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCCN(CC(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrNO2/c1-18-13-3-2-8-16(9-13)10-14(17)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKeyFCGUPOABZCJYSG-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960675
1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone
CID 103535548
1-(2,5-dibromothiophen-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960626
2-(3-methoxypyrrolidin-1-yl)-1-(4-nitrophenyl)ethanone
CID 103535597
1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960760
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960703
1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 114065869
2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 113231238
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
1-(4-bromophenyl)-2-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 92858348
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone (CID 102960713) is 1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone is COC1CCCN(CC(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone?
The InChIKey is FCGUPOABZCJYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-18-13-3-2-8-16(9-13)10-14(17)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone?
1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone has a molecular weight of 312.21 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 102960713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).