1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride

C12H18BrClN2O — CID 119903802

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1ccc(Br)cc1CN1CCNCC1.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c1-16-12-3-2-11(13)8-10(12)9-15-6-4-14-5-7-15;/h2-3,8,14H,4-7,9H2,1H3;1H
InChIKeyOHWMXTOBKPVVHK-UHFFFAOYSA-N
MW321.65 g/mol
LogP2.28
Rot. Bonds3

About 1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride

1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride (PubChem CID 119903802) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
PubChem CID119903802
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1ccc(Br)cc1CN1CCNCC1.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c1-16-12-3-2-11(13)8-10(12)9-15-6-4-14-5-7-15;/h2-3,8,14H,4-7,9H2,1H3;1H
InChIKeyOHWMXTOBKPVVHK-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906075
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholine
CID 763011
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 64833007
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine
CID 63456682
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
CID 63456658
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
CID 117429097
5-bromo-2-methoxy-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229876

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride (CID 119903802) is 1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride is COc1ccc(Br)cc1CN1CCNCC1.Cl.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride?
The InChIKey is OHWMXTOBKPVVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O.ClH/c1-16-12-3-2-11(13)8-10(12)9-15-6-4-14-5-7-15;/h2-3,8,14H,4-7,9H2,1H3;1H.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride?
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride has a molecular weight of 321.65 g/mol, XLogP of 2.28, 3 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]piperazine;hydrochloride is sourced from PubChem (CID 119903802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).