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

C17H25BrN2O — CID 23200937

IUPAC2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone
SMILESCC(C1CCCCN1C(=O)Cc1ccc(Br)cc1)N(C)C
InChIInChI=1S/C17H25BrN2O/c1-13(19(2)3)16-6-4-5-11-20(16)17(21)12-14-7-9-15(18)10-8-14/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyYCFYECKKPYDCIK-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.32
Rot. Bonds4

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

2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone (PubChem CID 23200937) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone
PubChem CID23200937
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone
SMILESCC(C1CCCCN1C(=O)Cc1ccc(Br)cc1)N(C)C
InChIInChI=1S/C17H25BrN2O/c1-13(19(2)3)16-6-4-5-11-20(16)17(21)12-14-7-9-15(18)10-8-14/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyYCFYECKKPYDCIK-UHFFFAOYSA-N
XLogP3.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 67902362
1-[2-(bromomethyl)piperidin-1-yl]-2-(4-bromophenyl)ethanone
CID 80659749
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 63255198
2-(4-bromophenyl)-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63249383
1-[2-(1-hydroxyethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 86783289
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 63255250
2-(4-bromophenyl)-1-[2-(chloromethyl)pyrrolidin-1-yl]ethanone
CID 55186103
2-(4-bromophenyl)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone
CID 110739849
2-(4-bromophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119650430
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[4-(difluoromethylsulfonyl)phenyl]ethanone;hydrochloride
CID 119435666
2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878
1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone (CID 23200937) is 2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone is CC(C1CCCCN1C(=O)Cc1ccc(Br)cc1)N(C)C.
What is the InChIKey of 2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone?
The InChIKey is YCFYECKKPYDCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-13(19(2)3)16-6-4-5-11-20(16)17(21)12-14-7-9-15(18)10-8-14/h7-10,13,16H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone?
2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone has a molecular weight of 353.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 23200937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).