1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine

C19H23BrN2O — CID 172648016

IUPAC1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cccc(OCc3ccccc3)c2Br)CC1
InChIInChI=1S/C19H23BrN2O/c1-21-10-12-22(13-11-21)14-17-8-5-9-18(19(17)20)23-15-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3
InChIKeySAVQSGAEUPOJIX-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.78
Rot. Bonds5

About 1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine

1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine (PubChem CID 172648016) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
PubChem CID172648016
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cccc(OCc3ccccc3)c2Br)CC1
InChIInChI=1S/C19H23BrN2O/c1-21-10-12-22(13-11-21)14-17-8-5-9-18(19(17)20)23-15-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3
InChIKeySAVQSGAEUPOJIX-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-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 172648119
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine
CID 176513537
7-bromo-3-methyl-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 91591578
1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 1049225
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-N-(4-phenylmethoxyphenyl)aniline
CID 118954533
1-methyl-4-[(7-phenylmethoxynaphthalen-2-yl)methyl]piperazine
CID 138106389
1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine
CID 150465716
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine (CID 172648016) is 1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine is CN1CCN(Cc2cccc(OCc3ccccc3)c2Br)CC1.
What is the InChIKey of 1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine?
The InChIKey is SAVQSGAEUPOJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-21-10-12-22(13-11-21)14-17-8-5-9-18(19(17)20)23-15-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3.
What are the key properties of 1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine?
1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine 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-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 172648016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).