2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone

C16H18BrNO — CID 121186980

IUPAC2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C16H18BrNO/c17-15-5-1-12(2-6-15)11-16(19)18-9-7-14(8-10-18)13-3-4-13/h1-2,5-6H,3-4,7-11H2
InChIKeyRMLIFEHFNTZDBS-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.70
Rot. Bonds2

About 2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone

2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone (PubChem CID 121186980) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
PubChem CID121186980
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C16H18BrNO/c17-15-5-1-12(2-6-15)11-16(19)18-9-7-14(8-10-18)13-3-4-13/h1-2,5-6H,3-4,7-11H2
InChIKeyRMLIFEHFNTZDBS-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
1-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110817436
2-(4-bromophenyl)-1-[4-(2-chloroethyl)piperazin-1-yl]ethanone
CID 63395536
2-(4-bromophenyl)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416494
1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855
N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]acetamide
CID 49348733
1-[4-[2-(4-bromophenyl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796892
2-(4-bromophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534855
2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 94826197
2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537586
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone
CID 112533974

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone (CID 121186980) is 2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone is O=C(Cc1ccc(Br)cc1)N1CCC(=C2CC2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone?
The InChIKey is RMLIFEHFNTZDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c17-15-5-1-12(2-6-15)11-16(19)18-9-7-14(8-10-18)13-3-4-13/h1-2,5-6H,3-4,7-11H2.
What are the key properties of 2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone?
2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone has a molecular weight of 320.23 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone is sourced from PubChem (CID 121186980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).