1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine

C18H22BrN3O — CID 4295326

IUPAC1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
SMILESCCOc1ccc(Br)cc1C(c1cccnc1)N1CCNCC1
InChIInChI=1S/C18H22BrN3O/c1-2-23-17-6-5-15(19)12-16(17)18(14-4-3-7-21-13-14)22-10-8-20-9-11-22/h3-7,12-13,18,20H,2,8-11H2,1H3
InChIKeyUTOVGTDGTOYFHA-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.24
Rot. Bonds5

About 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine

1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine (PubChem CID 4295326) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
PubChem CID4295326
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
SMILESCCOc1ccc(Br)cc1C(c1cccnc1)N1CCNCC1
InChIInChI=1S/C18H22BrN3O/c1-2-23-17-6-5-15(19)12-16(17)18(14-4-3-7-21-13-14)22-10-8-20-9-11-22/h3-7,12-13,18,20H,2,8-11H2,1H3
InChIKeyUTOVGTDGTOYFHA-UHFFFAOYSA-N
XLogP3.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4222145
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420
3-[(5-bromo-2-ethoxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline
CID 3335936
1-[(S)-(5-bromo-2-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171278489
1-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 4689029
1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3428738
N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43493541
1-[(3-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-1,4-diazepane
CID 3798874
1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine
CID 5125552
1-[(1S)-1-(5-bromo-2-ethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171278491
1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine
CID 3809899
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The IUPAC name of 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine (CID 4295326) is 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine is CCOc1ccc(Br)cc1C(c1cccnc1)N1CCNCC1.
What is the InChIKey of 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine?
The InChIKey is UTOVGTDGTOYFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-2-23-17-6-5-15(19)12-16(17)18(14-4-3-7-21-13-14)22-10-8-20-9-11-22/h3-7,12-13,18,20H,2,8-11H2,1H3.
What are the key properties of 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine?
1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine has a molecular weight of 376.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine is sourced from PubChem (CID 4295326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).