(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone

C19H21BrN2O2 — CID 17174738

IUPAC(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
SMILESCOc1ccc(Br)cc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O2/c1-24-18-8-7-16(20)13-17(18)19(23)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKeyLKELXGAWQXTBEL-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.42
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone

(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone (PubChem CID 17174738) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
PubChem CID17174738
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
SMILESCOc1ccc(Br)cc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O2/c1-24-18-8-7-16(20)13-17(18)19(23)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKeyLKELXGAWQXTBEL-UHFFFAOYSA-N
XLogP3.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone 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-[(4-bromophenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 1002548
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 60541476
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromo-2-methoxybenzamide
CID 4500692
(4-benzylpiperazin-1-yl)-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 28591235
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
(4-benzylpiperazin-1-yl)-[6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 5226155
(2-chlorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399284
(4-benzyl-1,4-diazepan-1-yl)-(3-methoxy-2-methylphenyl)methanone
CID 136553249
2-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]acetic acid
CID 115368600
(4-benzylpiperazin-1-yl)-(3,4-dimethoxyphenyl)methanethione
CID 1291602
[6-bromo-2-(2-methoxyphenyl)quinolin-4-yl]-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methanone
CID 17126628
(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 9338329

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone (CID 17174738) is (4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone is COc1ccc(Br)cc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone?
The InChIKey is LKELXGAWQXTBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-24-18-8-7-16(20)13-17(18)19(23)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone?
(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone has a molecular weight of 389.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone is sourced from PubChem (CID 17174738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).