1-[2-(methoxymethyl)phenyl]-3-methylpiperazine

C13H20N2O — CID 64925935

IUPAC1-[2-(methoxymethyl)phenyl]-3-methylpiperazine
SMILESCOCc1ccccc1N1CCNC(C)C1
InChIInChI=1S/C13H20N2O/c1-11-9-15(8-7-14-11)13-6-4-3-5-12(13)10-16-2/h3-6,11,14H,7-10H2,1-2H3
InChIKeyZCOUMJOVYBCWEA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.63
Rot. Bonds3

About 1-[2-(methoxymethyl)phenyl]-3-methylpiperazine

1-[2-(methoxymethyl)phenyl]-3-methylpiperazine (PubChem CID 64925935) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-methylpiperazine
PubChem CID64925935
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-methylpiperazine
SMILESCOCc1ccccc1N1CCNC(C)C1
InChIInChI=1S/C13H20N2O/c1-11-9-15(8-7-14-11)13-6-4-3-5-12(13)10-16-2/h3-6,11,14H,7-10H2,1-2H3
InChIKeyZCOUMJOVYBCWEA-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-[2-(methoxymethyl)phenyl]piperazine
CID 64926120
1-[2-(methoxymethyl)phenyl]-3-propylpiperazine
CID 64925936
5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 155345672
[1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 64865830
2-ethyl-1-[2-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64936592
methyl 2-[(3R)-3-methylpiperazin-1-yl]benzoate
CID 45072853
1-(2-benzylphenyl)-3-methyl-1,4-diazepane
CID 64945059
1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine
CID 159879194
2-[(3S)-3-methylpiperazin-1-yl]benzoic acid
CID 45073200
1-(2,3-dichlorophenyl)-3-methylpiperazine
CID 62670055
(3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine
CID 94544786
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-methylpiperazine?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-methylpiperazine (CID 64925935) is 1-[2-(methoxymethyl)phenyl]-3-methylpiperazine.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-methylpiperazine?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-methylpiperazine is COCc1ccccc1N1CCNC(C)C1.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-methylpiperazine?
The InChIKey is ZCOUMJOVYBCWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-9-15(8-7-14-11)13-6-4-3-5-12(13)10-16-2/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-methylpiperazine?
1-[2-(methoxymethyl)phenyl]-3-methylpiperazine has a molecular weight of 220.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-3-methylpiperazine is sourced from PubChem (CID 64925935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).