4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline

C12H18BrN3 — CID 115229855

IUPAC4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline
SMILESCN(CN1CCNCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrN3/c1-15(10-16-8-6-14-7-9-16)12-4-2-11(13)3-5-12/h2-5,14H,6-10H2,1H3
InChIKeyNJTNLPMEXGNKDJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP1.75
Rot. Bonds3

About 4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline

4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline (PubChem CID 115229855) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline
PubChem CID115229855
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline
SMILESCN(CN1CCNCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrN3/c1-15(10-16-8-6-14-7-9-16)12-4-2-11(13)3-5-12/h2-5,14H,6-10H2,1H3
InChIKeyNJTNLPMEXGNKDJ-UHFFFAOYSA-N
XLogP1.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methoxy-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229876
3-chloro-4-fluoro-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229905
4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline
CID 115229889
1-N,1-N-bis(4-bromophenyl)-2-N-methyl-3-piperazin-1-ylpropane-1,2-diamine
CID 176586340
1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116909752
N,5-dimethyl-N-(piperazin-1-ylmethyl)furan-2-amine
CID 115229932
5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine
CID 115229873
N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230571
4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
CID 115240347
1-[(4-bromophenyl)sulfanylmethyl]piperazine
CID 117033897
4-bromo-N-(2-fluoro-3-piperazin-1-ylpropyl)-N-phenylaniline
CID 142425578
N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide
CID 164863788

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline?
The IUPAC name of 4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline (CID 115229855) is 4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline?
The canonical SMILES for 4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline is CN(CN1CCNCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline?
The InChIKey is NJTNLPMEXGNKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-15(10-16-8-6-14-7-9-16)12-4-2-11(13)3-5-12/h2-5,14H,6-10H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline?
4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline has a molecular weight of 284.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline is sourced from PubChem (CID 115229855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).