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

C19H23BrN2O2 — CID 1371281

IUPAC2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCN(Cc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C19H23BrN2O2/c1-24-18-6-7-19(23)16(12-18)14-22-10-8-21(9-11-22)13-15-2-4-17(20)5-3-15/h2-7,12,23H,8-11,13-14H2,1H3
InChIKeyWEUOUZYUGSCCBS-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.48
Rot. Bonds5

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

2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol (PubChem CID 1371281) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol
PubChem CID1371281
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCN(Cc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C19H23BrN2O2/c1-24-18-6-7-19(23)16(12-18)14-22-10-8-21(9-11-22)13-15-2-4-17(20)5-3-15/h2-7,12,23H,8-11,13-14H2,1H3
InChIKeyWEUOUZYUGSCCBS-UHFFFAOYSA-N
XLogP3.48
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
4-bromo-2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol;oxalic acid
CID 17367371
4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
5-[4-hydroxy-3-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenyl]dithiole-3-thione
CID 139658251
2-[4-[(2-hydroxy-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061405
4-bromo-2-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1148389
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
4-bromo-2-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1371435
(5-bromo-2-hydroxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 52892945
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol (CID 1371281) is 2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol is COc1ccc(O)c(CN2CCN(Cc3ccc(Br)cc3)CC2)c1.
What is the InChIKey of 2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol?
The InChIKey is WEUOUZYUGSCCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-24-18-6-7-19(23)16(12-18)14-22-10-8-21(9-11-22)13-15-2-4-17(20)5-3-15/h2-7,12,23H,8-11,13-14H2,1H3.
What are the key properties of 2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol?
2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol has a molecular weight of 391.31 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol is sourced from PubChem (CID 1371281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).