1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine

C16H25BrN2O — CID 64833515

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCOc1ccc(Br)cc1CN1CC(C(C)C)NCC1C
InChIInChI=1S/C16H25BrN2O/c1-11(2)15-10-19(12(3)8-18-15)9-13-7-14(17)5-6-16(13)20-4/h5-7,11-12,15,18H,8-10H2,1-4H3
InChIKeyBMOKGVSYYVRWIN-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.28
Rot. Bonds4

About 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine

1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine (PubChem CID 64833515) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
PubChem CID64833515
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCOc1ccc(Br)cc1CN1CC(C(C)C)NCC1C
InChIInChI=1S/C16H25BrN2O/c1-11(2)15-10-19(12(3)8-18-15)9-13-7-14(17)5-6-16(13)20-4/h5-7,11-12,15,18H,8-10H2,1-4H3
InChIKeyBMOKGVSYYVRWIN-UHFFFAOYSA-N
XLogP3.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 64833007
1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64843482
1-[(3-bromo-4-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine
CID 64831547
1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 64980172
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846366
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64937512
1-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-bromopropyl)pyrrolidine
CID 112747899
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
5-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64840938
1-[(5-bromo-2-methoxyphenyl)methyl]-2-(bromomethyl)pyrrolidine
CID 80668876
5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 102879595

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine (CID 64833515) is 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine is COc1ccc(Br)cc1CN1CC(C(C)C)NCC1C.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is BMOKGVSYYVRWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11(2)15-10-19(12(3)8-18-15)9-13-7-14(17)5-6-16(13)20-4/h5-7,11-12,15,18H,8-10H2,1-4H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine?
1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 341.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64833515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).