2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine

C15H24BrN3 — CID 55023776

IUPAC2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C15H24BrN3/c1-17(2)7-8-18-9-11-19(12-10-18)13-14-5-3-4-6-15(14)16/h3-6H,7-13H2,1-2H3
InChIKeyQQERHOTZNIFIRC-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.13
Rot. Bonds5

About 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 55023776) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID55023776
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C15H24BrN3/c1-17(2)7-8-18-9-11-19(12-10-18)13-14-5-3-4-6-15(14)16/h3-6H,7-13H2,1-2H3
InChIKeyQQERHOTZNIFIRC-UHFFFAOYSA-N
XLogP2.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
CID 171701593
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]benzoic acid
CID 62889305
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]benzenecarbothioamide
CID 62885250
1-[(2-bromophenyl)methyl]-4-(2-chloroethyl)-1,4-diazepane
CID 55183487
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 60691696
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine
CID 7026530
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163349605
1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine
CID 171934677
4-[(2-bromophenyl)methyl]-N-methylpiperazine-1-carbothioamide
CID 19291665
6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 154883037

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 55023776) is 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(Cc2ccccc2Br)CC1.
What is the InChIKey of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is QQERHOTZNIFIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-17(2)7-8-18-9-11-19(12-10-18)13-14-5-3-4-6-15(14)16/h3-6H,7-13H2,1-2H3.
What are the key properties of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 326.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 55023776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).