2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline

C14H22BrN3 — CID 117029360

IUPAC2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline
SMILESCc1ccc(N(C)CCN2CCNCC2)c(Br)c1
InChIInChI=1S/C14H22BrN3/c1-12-3-4-14(13(15)11-12)17(2)9-10-18-7-5-16-6-8-18/h3-4,11,16H,5-10H2,1-2H3
InChIKeyMWUSSLJIDAHXHM-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.10
Rot. Bonds4

About 2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline

2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline (PubChem CID 117029360) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline.

Molecular Properties

Compound Name2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline
PubChem CID117029360
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline
SMILESCc1ccc(N(C)CCN2CCNCC2)c(Br)c1
InChIInChI=1S/C14H22BrN3/c1-12-3-4-14(13(15)11-12)17(2)9-10-18-7-5-16-6-8-18/h3-4,11,16H,5-10H2,1-2H3
InChIKeyMWUSSLJIDAHXHM-UHFFFAOYSA-N
XLogP2.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methyl-N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)aniline
CID 115511896
1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191
2-bromo-N-(2-chloroethyl)-N,4-dimethylaniline
CID 82122019
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
CID 63325401
1-[3-bromo-4-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]ethanol
CID 55163814
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline
CID 63266177
4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 63265210
N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 66158239
N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
5-chloro-N-methyl-N-(2-piperazin-1-ylethyl)thiophen-2-amine
CID 115230327
N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 66278748

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline?
The IUPAC name of 2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline (CID 117029360) is 2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline.
What is the SMILES notation for 2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline?
The canonical SMILES for 2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline is Cc1ccc(N(C)CCN2CCNCC2)c(Br)c1.
What is the InChIKey of 2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline?
The InChIKey is MWUSSLJIDAHXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-12-3-4-14(13(15)11-12)17(2)9-10-18-7-5-16-6-8-18/h3-4,11,16H,5-10H2,1-2H3.
What are the key properties of 2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline?
2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline has a molecular weight of 312.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline is sourced from PubChem (CID 117029360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).