1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine

C21H28N2O2 — CID 56720123

IUPAC1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine
SMILESCOC(C)c1ccc(Oc2ccccc2CN2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-17(24-3)18-8-10-20(11-9-18)25-21-7-5-4-6-19(21)16-23-14-12-22(2)13-15-23/h4-11,17H,12-16H2,1-3H3
InChIKeyCLJYMTGZCWMNTO-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.93
Rot. Bonds6

About 1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine

1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine (PubChem CID 56720123) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine
PubChem CID56720123
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine
SMILESCOC(C)c1ccc(Oc2ccccc2CN2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-17(24-3)18-8-10-20(11-9-18)25-21-7-5-4-6-19(21)16-23-14-12-22(2)13-15-23/h4-11,17H,12-16H2,1-3H3
InChIKeyCLJYMTGZCWMNTO-UHFFFAOYSA-N
XLogP3.93
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95210621
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-2-amine
CID 117372131
1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine
CID 56713052
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
2-methoxy-4-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyridine-3-carbonitrile
CID 56717983
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 117372127
4-[2-[[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]phenoxy]benzamide
CID 135215119
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110398981
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine (CID 56720123) is 1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine is COC(C)c1ccc(Oc2ccccc2CN2CCN(C)CC2)cc1.
What is the InChIKey of 1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine?
The InChIKey is CLJYMTGZCWMNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17(24-3)18-8-10-20(11-9-18)25-21-7-5-4-6-19(21)16-23-14-12-22(2)13-15-23/h4-11,17H,12-16H2,1-3H3.
What are the key properties of 1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine?
1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine has a molecular weight of 340.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(1-methoxyethyl)phenoxy]phenyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 56720123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).