1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine

C17H28BrN3 — CID 62619148

IUPAC1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCCN(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrN3/c1-19-17(14-6-8-15(18)9-7-14)10-12-21(3)16-5-4-11-20(2)13-16/h6-9,16-17,19H,4-5,10-13H2,1-3H3
InChIKeyXFDCLRYUVAYLIQ-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.13
Rot. Bonds6

About 1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine

1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine (PubChem CID 62619148) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
PubChem CID62619148
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCCN(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrN3/c1-19-17(14-6-8-15(18)9-7-14)10-12-21(3)16-5-4-11-20(2)13-16/h6-9,16-17,19H,4-5,10-13H2,1-3H3
InChIKeyXFDCLRYUVAYLIQ-UHFFFAOYSA-N
XLogP3.13
TPSA18.51 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine (CID 62619148) is 1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine is CNC(CCN(C)C1CCCN(C)C1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The InChIKey is XFDCLRYUVAYLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-19-17(14-6-8-15(18)9-7-14)10-12-21(3)16-5-4-11-20(2)13-16/h6-9,16-17,19H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine has a molecular weight of 354.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 62619148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).