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

C16H26BrN3 — CID 62547273

IUPAC1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
SMILESCC(N)C(c1ccccc1Br)N(C)C1CCCN(C)C1
InChIInChI=1S/C16H26BrN3/c1-12(18)16(14-8-4-5-9-15(14)17)20(3)13-7-6-10-19(2)11-13/h4-5,8-9,12-13,16H,6-7,10-11,18H2,1-3H3
InChIKeyQDPOXNYRNHKBJQ-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.86
Rot. Bonds4

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

1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine (PubChem CID 62547273) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
PubChem CID62547273
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
SMILESCC(N)C(c1ccccc1Br)N(C)C1CCCN(C)C1
InChIInChI=1S/C16H26BrN3/c1-12(18)16(14-8-4-5-9-15(14)17)20(3)13-7-6-10-19(2)11-13/h4-5,8-9,12-13,16H,6-7,10-11,18H2,1-3H3
InChIKeyQDPOXNYRNHKBJQ-UHFFFAOYSA-N
XLogP2.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62624360
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-thiophen-2-ylpropane-1,2-diamine
CID 62547450
1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 62547087
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62545323
N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 82968010
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-phenylbutane-1,2-diamine
CID 62546230
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545528
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62546211
1-(2-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55022683
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 63669450

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine (CID 62547273) is 1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine is CC(N)C(c1ccccc1Br)N(C)C1CCCN(C)C1.
What is the InChIKey of 1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
The InChIKey is QDPOXNYRNHKBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-12(18)16(14-8-4-5-9-15(14)17)20(3)13-7-6-10-19(2)11-13/h4-5,8-9,12-13,16H,6-7,10-11,18H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine has a molecular weight of 340.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 62547273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).