[4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone

C18H19BrN2O2 — CID 119402210

IUPAC[4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccccc2Br)cc1)N1CCNCC1
InChIInChI=1S/C18H19BrN2O2/c19-16-3-1-2-4-17(16)23-13-14-5-7-15(8-6-14)18(22)21-11-9-20-10-12-21/h1-8,20H,9-13H2
InChIKeyWEAACXSNJMPMHR-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.07
Rot. Bonds4

About [4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone

[4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone (PubChem CID 119402210) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is [4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone
PubChem CID119402210
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name[4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccccc2Br)cc1)N1CCNCC1
InChIInChI=1S/C18H19BrN2O2/c19-16-3-1-2-4-17(16)23-13-14-5-7-15(8-6-14)18(22)21-11-9-20-10-12-21/h1-8,20H,9-13H2
InChIKeyWEAACXSNJMPMHR-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 3448766
azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468
1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119415302
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone
CID 145479370
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512587
N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 17387628
2-[4-(piperazine-1-carbonyl)phenyl]acetonitrile
CID 82179229
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone (CID 119402210) is [4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone is O=C(c1ccc(COc2ccccc2Br)cc1)N1CCNCC1.
What is the InChIKey of [4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is WEAACXSNJMPMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-16-3-1-2-4-17(16)23-13-14-5-7-15(8-6-14)18(22)21-11-9-20-10-12-21/h1-8,20H,9-13H2.
What are the key properties of [4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone?
[4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 375.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119402210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).