1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine

C17H28BrN3 — CID 62619458

IUPAC1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine
SMILESCN(C)CC1CCN(CCC(N)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H28BrN3/c1-20(2)13-14-6-9-21(10-7-14)11-8-17(19)15-4-3-5-16(18)12-15/h3-5,12,14,17H,6-11,13,19H2,1-2H3
InChIKeyYVWDYBUWWAZBJL-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.11
Rot. Bonds6

About 1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine

1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine (PubChem CID 62619458) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine
PubChem CID62619458
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine
SMILESCN(C)CC1CCN(CCC(N)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H28BrN3/c1-20(2)13-14-6-9-21(10-7-14)11-8-17(19)15-4-3-5-16(18)12-15/h3-5,12,14,17H,6-11,13,19H2,1-2H3
InChIKeyYVWDYBUWWAZBJL-UHFFFAOYSA-N
XLogP3.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133
1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502679
1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62617221
1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
CID 103539140
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107520322
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612776
1-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619056
1-(3-bromophenyl)-3-(4-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62618283
1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62619615
1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 63234218
1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63972223
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine (CID 62619458) is 1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine is CN(C)CC1CCN(CCC(N)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine?
The InChIKey is YVWDYBUWWAZBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-20(2)13-14-6-9-21(10-7-14)11-8-17(19)15-4-3-5-16(18)12-15/h3-5,12,14,17H,6-11,13,19H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine?
1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine has a molecular weight of 354.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 62619458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).