[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

C19H21BrN2O2 — CID 1112858

IUPAC[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3ccccc3Br)CC2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-24-17-8-6-15(7-9-17)19(23)22-12-10-21(11-13-22)14-16-4-2-3-5-18(16)20/h2-9H,10-14H2,1H3
InChIKeyUWJFWNCXNKLSBF-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.42
Rot. Bonds4

About [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 1112858) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID1112858
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3ccccc3Br)CC2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-24-17-8-6-15(7-9-17)19(23)22-12-10-21(11-13-22)14-16-4-2-3-5-18(16)20/h2-9H,10-14H2,1H3
InChIKeyUWJFWNCXNKLSBF-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-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-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-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone;oxalic acid
CID 17366501
[4-[(4-methoxyphenoxy)methyl]phenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325642
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 796405
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 55827633
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
ethyl 4-[(2-bromophenyl)methyl]piperazine-1-carboxylate
CID 782501
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 997989
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methanone
CID 19333465
methyl 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzoate
CID 8642324
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110398981

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 1112858) is [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(Cc3ccccc3Br)CC2)cc1.
What is the InChIKey of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is UWJFWNCXNKLSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-24-17-8-6-15(7-9-17)19(23)22-12-10-21(11-13-22)14-16-4-2-3-5-18(16)20/h2-9H,10-14H2,1H3.
What are the key properties of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-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-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1112858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).