1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine

C16H26BrN3 — CID 62624360

IUPAC1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
SMILESCN1CCCC(N(C)CCC(N)c2ccccc2Br)C1
InChIInChI=1S/C16H26BrN3/c1-19-10-5-6-13(12-19)20(2)11-9-16(18)14-7-3-4-8-15(14)17/h3-4,7-8,13,16H,5-6,9-12,18H2,1-2H3
InChIKeyPGEDNYRPVRIQAA-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine

1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine (PubChem CID 62624360) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
PubChem CID62624360
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
SMILESCN1CCCC(N(C)CCC(N)c2ccccc2Br)C1
InChIInChI=1S/C16H26BrN3/c1-19-10-5-6-13(12-19)20(2)11-9-16(18)14-7-3-4-8-15(14)17/h3-4,7-8,13,16H,5-6,9-12,18H2,1-2H3
InChIKeyPGEDNYRPVRIQAA-UHFFFAOYSA-N
XLogP2.87
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine 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

1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 62547273
1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743611
N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561241
1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545528
1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
CID 62631209
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62619148
N'-methyl-N'-(1-methylpiperidin-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287822
3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine
CID 55098260
N-[2-(4-aminopiperidin-1-yl)ethyl]-N,1-dimethylpiperidin-3-amine
CID 79327766
1-(2-bromophenyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 62629071
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine (CID 62624360) is 1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine is CN1CCCC(N(C)CCC(N)c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The InChIKey is PGEDNYRPVRIQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-19-10-5-6-13(12-19)20(2)11-9-16(18)14-7-3-4-8-15(14)17/h3-4,7-8,13,16H,5-6,9-12,18H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine has a molecular weight of 340.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 62624360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).