1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone

C15H19Br2NO — CID 112747391

IUPAC1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
SMILESCC1(C)CN(C(=O)Cc2ccc(Br)cc2)CCC1Br
InChIInChI=1S/C15H19Br2NO/c1-15(2)10-18(8-7-13(15)17)14(19)9-11-3-5-12(16)6-4-11/h3-6,13H,7-10H2,1-2H3
InChIKeyUEAOXGMWPRKFPM-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.01
Rot. Bonds2

About 1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone

1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone (PubChem CID 112747391) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is 1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
PubChem CID112747391
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC Name1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
SMILESCC1(C)CN(C(=O)Cc2ccc(Br)cc2)CCC1Br
InChIInChI=1S/C15H19Br2NO/c1-15(2)10-18(8-7-13(15)17)14(19)9-11-3-5-12(16)6-4-11/h3-6,13H,7-10H2,1-2H3
InChIKeyUEAOXGMWPRKFPM-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855
2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537586
N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]acetamide
CID 49348733
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-bromophenyl)ethanone;hydrochloride
CID 119411406
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
2-(4-bromophenyl)-1-(3,3-difluoropiperidin-1-yl)ethanone
CID 121409675
3-amino-1-[2-(4-bromophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107323700
1-[2-(4-bromophenyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982759
1-[2-(4-bromophenyl)acetyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63146503
2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 51942616

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
The IUPAC name of 1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone (CID 112747391) is 1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone is CC1(C)CN(C(=O)Cc2ccc(Br)cc2)CCC1Br.
What is the InChIKey of 1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
The InChIKey is UEAOXGMWPRKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c1-15(2)10-18(8-7-13(15)17)14(19)9-11-3-5-12(16)6-4-11/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone has a molecular weight of 389.13 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone is sourced from PubChem (CID 112747391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).