1-[(3-methoxy-2-methylphenyl)methyl]piperazine

C13H20N2O — CID 83707267

IUPAC1-[(3-methoxy-2-methylphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCNCC2)c1C
InChIInChI=1S/C13H20N2O/c1-11-12(4-3-5-13(11)16-2)10-15-8-6-14-7-9-15/h3-5,14H,6-10H2,1-2H3
InChIKeyBANJXFNTUKEBET-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.41
Rot. Bonds3

About 1-[(3-methoxy-2-methylphenyl)methyl]piperazine

1-[(3-methoxy-2-methylphenyl)methyl]piperazine (PubChem CID 83707267) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(3-methoxy-2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methoxy-2-methylphenyl)methyl]piperazine
PubChem CID83707267
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(3-methoxy-2-methylphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCNCC2)c1C
InChIInChI=1S/C13H20N2O/c1-11-12(4-3-5-13(11)16-2)10-15-8-6-14-7-9-15/h3-5,14H,6-10H2,1-2H3
InChIKeyBANJXFNTUKEBET-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methoxy-2-methylphenyl)methyl]piperazine 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-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[(2-methoxy-6-propan-2-yloxyphenyl)methyl]piperazine
CID 117415818
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
CID 59161326
(3aS,6aR)-5-[(3-methoxy-2-methylphenyl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 146109464
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[(2-methoxy-6-methylsulfanylphenyl)methyl]piperazine
CID 117384519
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-methoxy-2-methylphenyl)methyl]piperazine (CID 83707267) is 1-[(3-methoxy-2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methoxy-2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-methoxy-2-methylphenyl)methyl]piperazine is COc1cccc(CN2CCNCC2)c1C.
What is the InChIKey of 1-[(3-methoxy-2-methylphenyl)methyl]piperazine?
The InChIKey is BANJXFNTUKEBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-12(4-3-5-13(11)16-2)10-15-8-6-14-7-9-15/h3-5,14H,6-10H2,1-2H3.
What are the key properties of 1-[(3-methoxy-2-methylphenyl)methyl]piperazine?
1-[(3-methoxy-2-methylphenyl)methyl]piperazine has a molecular weight of 220.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 83707267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).