1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine

C19H23BrN2O — CID 1126311

IUPAC1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1CN1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C19H23BrN2O/c1-23-19-9-5-3-7-17(19)15-22-12-10-21(11-13-22)14-16-6-2-4-8-18(16)20/h2-9H,10-15H2,1H3
InChIKeyRSLPXISFTLFYBK-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.78
Rot. Bonds5

About 1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine

1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine (PubChem CID 1126311) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
PubChem CID1126311
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1CN1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C19H23BrN2O/c1-23-19-9-5-3-7-17(19)15-22-12-10-21(11-13-22)14-16-6-2-4-8-18(16)20/h2-9H,10-15H2,1H3
InChIKeyRSLPXISFTLFYBK-UHFFFAOYSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
4-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1131780
4-bromo-2-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1371435
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
CID 876499
4-bromo-2-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol;oxalic acid
CID 17367362

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine (CID 1126311) is 1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine is COc1ccccc1CN1CCN(Cc2ccccc2Br)CC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The InChIKey is RSLPXISFTLFYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-23-19-9-5-3-7-17(19)15-22-12-10-21(11-13-22)14-16-6-2-4-8-18(16)20/h2-9H,10-15H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine has a molecular weight of 375.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1126311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).