1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one

C16H22BrNO — CID 62931132

IUPAC1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1(C)CCN(CCC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H22BrNO/c1-16(2)7-10-18(11-8-16)9-6-15(19)13-4-3-5-14(17)12-13/h3-5,12H,6-11H2,1-2H3
InChIKeySMUVFIMVVMYMGO-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.14
Rot. Bonds4

About 1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one

1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 62931132) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one
PubChem CID62931132
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1(C)CCN(CCC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H22BrNO/c1-16(2)7-10-18(11-8-16)9-6-15(19)13-4-3-5-14(17)12-13/h3-5,12H,6-11H2,1-2H3
InChIKeySMUVFIMVVMYMGO-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 55156322
1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one
CID 55094321
1-(3-bromophenyl)-3-(4-methylazepan-1-yl)propan-1-one
CID 63624671
3-(4-hydroxy-4-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 81103969
1-(4-bromophenyl)-4-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 63567923
1-(3-bromophenyl)butan-1-one
CID 18417701
1-(3-bromophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107456818
3-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylphenyl)propan-1-one
CID 107408651
1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228830
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 103358415
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227315

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one (CID 62931132) is 1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one is CC1(C)CCN(CCC(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is SMUVFIMVVMYMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-16(2)7-10-18(11-8-16)9-6-15(19)13-4-3-5-14(17)12-13/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one?
1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 324.26 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 62931132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).