1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine

C15H23BrN2O — CID 64833007

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
SMILESCOc1ccc(Br)cc1CN1CCNC(C(C)C)C1
InChIInChI=1S/C15H23BrN2O/c1-11(2)14-10-18(7-6-17-14)9-12-8-13(16)4-5-15(12)19-3/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyQZLOZIMWVPXLMU-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.89
Rot. Bonds4

About 1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine

1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine (PubChem CID 64833007) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
PubChem CID64833007
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
SMILESCOc1ccc(Br)cc1CN1CCNC(C(C)C)C1
InChIInChI=1S/C15H23BrN2O/c1-11(2)14-10-18(7-6-17-14)9-12-8-13(16)4-5-15(12)19-3/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyQZLOZIMWVPXLMU-UHFFFAOYSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64834214
1-[(4-bromo-2-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 113471566
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833515
(3R)-1-[(4-bromo-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510186
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906075
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 102879444
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 65330873
1-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64949014
4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholine
CID 763011

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine (CID 64833007) is 1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine is COc1ccc(Br)cc1CN1CCNC(C(C)C)C1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine?
The InChIKey is QZLOZIMWVPXLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(2)14-10-18(7-6-17-14)9-12-8-13(16)4-5-15(12)19-3/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine?
1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine has a molecular weight of 327.27 g/mol, XLogP of 2.89, 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]-3-propan-2-ylpiperazine is sourced from PubChem (CID 64833007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).