(2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one

C16H23BrN2O — CID 124567680

IUPAC(2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCC(N(C)C)CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-12(13-4-6-14(17)7-5-13)16(20)19-10-8-15(9-11-19)18(2)3/h4-7,12,15H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyABHPRNOPGUPXJX-GFCCVEGCSA-N
MW339.28 g/mol
LogP3.11
Rot. Bonds3

About (2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one

(2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one (PubChem CID 124567680) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
PubChem CID124567680
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name(2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCC(N(C)C)CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-12(13-4-6-14(17)7-5-13)16(20)19-10-8-15(9-11-19)18(2)3/h4-7,12,15H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyABHPRNOPGUPXJX-GFCCVEGCSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514149
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 43585925
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone
CID 43585921
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204
1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 154842275
1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 120529678
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
CID 60559753
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile
CID 55208045
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-sulfanylpropan-1-one
CID 107029351

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one (CID 124567680) is (2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one is C[C@@H](C(=O)N1CCC(N(C)C)CC1)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is ABHPRNOPGUPXJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12(13-4-6-14(17)7-5-13)16(20)19-10-8-15(9-11-19)18(2)3/h4-7,12,15H,8-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one?
(2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 339.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124567680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).