4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol

C18H20BrClN2O — CID 2887065

IUPAC4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol
SMILESOc1ccc(Br)cc1CN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20BrClN2O/c19-16-3-6-18(23)15(11-16)13-22-9-7-21(8-10-22)12-14-1-4-17(20)5-2-14/h1-6,11,23H,7-10,12-13H2
InChIKeyUDBUKNAECQQGSK-UHFFFAOYSA-N
MW395.73 g/mol
LogP4.13
Rot. Bonds4

About 4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol

4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol (PubChem CID 2887065) has the molecular formula C18H20BrClN2O and a molecular weight of 395.73 g/mol. Its IUPAC name is 4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol
PubChem CID2887065
Molecular FormulaC18H20BrClN2O
Molecular Weight395.73 g/mol
Exact Mass394.04
IUPAC Name4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol
SMILESOc1ccc(Br)cc1CN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20BrClN2O/c19-16-3-6-18(23)15(11-16)13-22-9-7-21(8-10-22)12-14-1-4-17(20)5-2-14/h1-6,11,23H,7-10,12-13H2
InChIKeyUDBUKNAECQQGSK-UHFFFAOYSA-N
XLogP4.13
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol 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-Bromo-2-[(4-ethyl-1-piperazinyl)methyl]phenol
CID 782390
1-[[5-Bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-ol
CID 11189082
2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol
CID 783699
4-Bromo-2-({4-[(4-ethylphenyl)methyl]piperazin-1-YL}methyl)phenol
CID 1371695
2-[(4-Benzyl-1-piperazinyl)methyl]-4,6-dibromophenol
CID 1376462
4-Bromo-2-{[4-(3-chlorobenzyl)piperazin-1-yl]methyl}phenol
CID 1371678
Cambridge id 5429996
CID 1376500
4-Bromo-2-{[4-(3-fluorobenzyl)piperazin-1-yl]methyl}phenol
CID 1370534
2-{[({1-[2-(4-Chlorophenyl)ethyl]piperidin-3-yl}methyl)(methyl)amino]methyl}phenol
CID 23723552
1-(2-(4-Chlorobenzyloxy)-5-bromobenzyl)-4-ethylpiperazine
CID 44431934
2-{[4-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)piperazin-1-yl]methyl}-4-bromophenol
CID 2887025
4-Bromo-2-({4-[2-(trifluoromethyl)benzyl]piperazin-1-yl}methyl)phenol
CID 1371216

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol (CID 2887065) is 4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol is Oc1ccc(Br)cc1CN1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol?
The InChIKey is UDBUKNAECQQGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O/c19-16-3-6-18(23)15(11-16)13-22-9-7-21(8-10-22)12-14-1-4-17(20)5-2-14/h1-6,11,23H,7-10,12-13H2.
What are the key properties of 4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol?
4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol has a molecular weight of 395.73 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 2887065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).