2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol

C20H25BrN2O3 — CID 1376813

IUPAC2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol
SMILESCCOc1ccccc1N1CCN(Cc2cc(Br)c(O)c(OC)c2)CC1
InChIInChI=1S/C20H25BrN2O3/c1-3-26-18-7-5-4-6-17(18)23-10-8-22(9-11-23)14-15-12-16(21)20(24)19(13-15)25-2/h4-7,12-13,24H,3,8-11,14H2,1-2H3
InChIKeyVQVRHWNHAUFSEP-UHFFFAOYSA-N
MW421.34 g/mol
LogP3.88
Rot. Bonds6

About 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol

2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol (PubChem CID 1376813) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol
PubChem CID1376813
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC Name2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol
SMILESCCOc1ccccc1N1CCN(Cc2cc(Br)c(O)c(OC)c2)CC1
InChIInChI=1S/C20H25BrN2O3/c1-3-26-18-7-5-4-6-17(18)23-10-8-22(9-11-23)14-15-12-16(21)20(24)19(13-15)25-2/h4-7,12-13,24H,3,8-11,14H2,1-2H3
InChIKeyVQVRHWNHAUFSEP-UHFFFAOYSA-N
XLogP3.88
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol with MolForge

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Related Compounds

2-bromo-6-methoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 1067956
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-4-methylphenol
CID 71944651
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3435768
2,6-ditert-butyl-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 2095519
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 2846107
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 65056254
4-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1131780
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
2-bromo-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxyphenol
CID 2838540
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1240306
1-(2-ethoxyphenyl)-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
CID 1376192

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol (CID 1376813) is 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol is CCOc1ccccc1N1CCN(Cc2cc(Br)c(O)c(OC)c2)CC1.
What is the InChIKey of 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol?
The InChIKey is VQVRHWNHAUFSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c1-3-26-18-7-5-4-6-17(18)23-10-8-22(9-11-23)14-15-12-16(21)20(24)19(13-15)25-2/h4-7,12-13,24H,3,8-11,14H2,1-2H3.
What are the key properties of 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol?
2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol has a molecular weight of 421.34 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol is sourced from PubChem (CID 1376813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).