1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine

C16H26BrN3 — CID 63635314

IUPAC1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCN(C)C(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrN3/c1-13-12-20(11-10-19(13)3)9-8-16(18-2)14-4-6-15(17)7-5-14/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyBRPPDMOOUOAKMJ-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.74
Rot. Bonds5

About 1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine

1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine (PubChem CID 63635314) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
PubChem CID63635314
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCN(C)C(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrN3/c1-13-12-20(11-10-19(13)3)9-8-16(18-2)14-4-6-15(17)7-5-14/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyBRPPDMOOUOAKMJ-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55099040
1-[3-(4-bromophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674093
1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 66372166
1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine
CID 62617885
1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635128
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 63634255
1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55215794
[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62617417
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
CID 62618442
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)-N-methylpropan-1-amine
CID 79933460

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine (CID 63635314) is 1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine is CNC(CCN1CCN(C)C(C)C1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine?
The InChIKey is BRPPDMOOUOAKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-13-12-20(11-10-19(13)3)9-8-16(18-2)14-4-6-15(17)7-5-14/h4-7,13,16,18H,8-12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine?
1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 63635314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).