1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one

C20H22BrNO — CID 4317335

IUPAC1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
SMILESO=C(c1ccc(Br)cc1)C(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C20H22BrNO/c21-18-11-9-17(10-12-18)20(23)19(22-13-5-2-6-14-22)15-16-7-3-1-4-8-16/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyJIWYMIYHPRPHAB-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.73
Rot. Bonds5

About 1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one

1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one (PubChem CID 4317335) has the molecular formula C20H22BrNO and a molecular weight of 372.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
PubChem CID4317335
Molecular FormulaC20H22BrNO
Molecular Weight372.31 g/mol
Exact Mass371.09
IUPAC Name1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
SMILESO=C(c1ccc(Br)cc1)C(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C20H22BrNO/c21-18-11-9-17(10-12-18)20(23)19(22-13-5-2-6-14-22)15-16-7-3-1-4-8-16/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyJIWYMIYHPRPHAB-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 2502673
1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 5024671
(2R)-2-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 7000195
1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
CID 11515769
1-(4-hydroxyphenyl)-2-morpholin-4-yl-3-phenylpropan-1-one
CID 24843920
(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
CID 31275145
(2S)-1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ium-1-ylpropan-1-one
CID 2118701
1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 3530712
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one
CID 70630041
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
1-[1-oxo-3-phenyl-1-[4-(tetrazol-1-yl)phenyl]propan-2-yl]piperidine-4-carboxylic acid
CID 123651406

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one (CID 4317335) is 1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one is O=C(c1ccc(Br)cc1)C(Cc1ccccc1)N1CCCCC1.
What is the InChIKey of 1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The InChIKey is JIWYMIYHPRPHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO/c21-18-11-9-17(10-12-18)20(23)19(22-13-5-2-6-14-22)15-16-7-3-1-4-8-16/h1,3-4,7-12,19H,2,5-6,13-15H2.
What are the key properties of 1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one has a molecular weight of 372.31 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 4317335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).