1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine

C18H21BrN2 — CID 154204746

IUPAC1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H21BrN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
InChIKeyGGZNCFOHQLUSNQ-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.79
Rot. Bonds3

About 1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine

1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine (PubChem CID 154204746) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine
PubChem CID154204746
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H21BrN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
InChIKeyGGZNCFOHQLUSNQ-UHFFFAOYSA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine (CID 154204746) is 1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine is CN1CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine?
The InChIKey is GGZNCFOHQLUSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3.
What are the key properties of 1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine?
1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine has a molecular weight of 345.28 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-phenylmethyl]-4-methylpiperazine is sourced from PubChem (CID 154204746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).