1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine

C19H23BrN2O — CID 3742579

IUPAC1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1C(c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C19H23BrN2O/c1-2-23-18-10-6-4-8-16(18)19(22-13-11-21-12-14-22)15-7-3-5-9-17(15)20/h3-10,19,21H,2,11-14H2,1H3
InChIKeyOZTYMIOMLWLFAJ-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.84
Rot. Bonds5

About 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine

1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine (PubChem CID 3742579) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine
PubChem CID3742579
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1C(c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C19H23BrN2O/c1-2-23-18-10-6-4-8-16(18)19(22-13-11-21-12-14-22)15-7-3-5-9-17(15)20/h3-10,19,21H,2,11-14H2,1H3
InChIKeyOZTYMIOMLWLFAJ-UHFFFAOYSA-N
XLogP3.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxyphenyl)-(2-methylphenyl)methyl]-1,4-diazepane
CID 3742611
1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine
CID 3900303
1-[bis(2-bromophenyl)methyl]-1,4-diazepane
CID 4295323
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(2-bromophenyl)-(4-ethoxyphenyl)methyl]-1,4-diazepane
CID 3453910
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
CID 171288181
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(2-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3735914
1-[(2-bromophenyl)-(2,4-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3490266
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 83979111

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine (CID 3742579) is 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine is CCOc1ccccc1C(c1ccccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine?
The InChIKey is OZTYMIOMLWLFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-2-23-18-10-6-4-8-16(18)19(22-13-11-21-12-14-22)15-7-3-5-9-17(15)20/h3-10,19,21H,2,11-14H2,1H3.
What are the key properties of 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine?
1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine has a molecular weight of 375.31 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3742579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).