1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one

C16H22BrNO2 — CID 62612812

IUPAC1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one
SMILESCCOC1CCN(CCC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO2/c1-2-20-15-7-10-18(11-8-15)12-9-16(19)13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3
InChIKeySXORMHYEXJPLEO-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.52
Rot. Bonds6

About 1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one

1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one (PubChem CID 62612812) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one
PubChem CID62612812
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one
SMILESCCOC1CCN(CCC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO2/c1-2-20-15-7-10-18(11-8-15)12-9-16(19)13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3
InChIKeySXORMHYEXJPLEO-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine
CID 61224076
1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61216135
1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61215953
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-phenylpropan-1-one
CID 82691756
1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 62612808
1-(4-bromophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 63002569
1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612163
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
1-(4-bromophenyl)-4-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 63567923
1-(4-bromo-2-chlorophenyl)-3-(3-ethoxypiperidin-1-yl)propan-1-one
CID 82776146
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one (CID 62612812) is 1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one is CCOC1CCN(CCC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one?
The InChIKey is SXORMHYEXJPLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-20-15-7-10-18(11-8-15)12-9-16(19)13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one?
1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one has a molecular weight of 340.26 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 62612812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).