2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone

C16H22BrNO2 — CID 112537586

IUPAC2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCCC(O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO2/c1-2-15(19)13-7-9-18(10-8-13)16(20)11-12-3-5-14(17)6-4-12/h3-6,13,15,19H,2,7-11H2,1H3
InChIKeyWDROTWVSDYAIGH-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone

2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone (PubChem CID 112537586) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
PubChem CID112537586
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCCC(O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO2/c1-2-15(19)13-7-9-18(10-8-13)16(20)11-12-3-5-14(17)6-4-12/h3-6,13,15,19H,2,7-11H2,1H3
InChIKeyWDROTWVSDYAIGH-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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]piperazin-1-yl]-2-methylpropan-1-one
CID 110817436
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 137337548
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002779
1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112747391
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
1-[4-[2-(4-bromophenyl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796892
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone (CID 112537586) is 2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone is CCC(O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The InChIKey is WDROTWVSDYAIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-15(19)13-7-9-18(10-8-13)16(20)11-12-3-5-14(17)6-4-12/h3-6,13,15,19H,2,7-11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone has a molecular weight of 340.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 112537586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).