(2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine

C60H78N6O6 — CID 160671202

IUPAC(2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine
SMILESCOc1ccc(CCc2ccccc2OCC2CNCCN2)cc1.COc1ccc(CCc2ccccc2OC[C@@H]2CNCCN2)cc1.COc1ccc(CCc2ccccc2OC[C@H]2CNCCN2)cc1
InChIInChI=1S/3C20H26N2O2/c3*1-23-19-10-7-16(8-11-19)6-9-17-4-2-3-5-20(17)24-15-18-14-21-12-13-22-18/h3*2-5,7-8,10-11,18,21-22H,6,9,12-15H2,1H3/t2*18-;/m10./s1
InChIKeyRMYJAFLNMAGDGT-OZRDHYJWSA-N
MW979.32 g/mol
LogP7.26
Rot. Bonds21

About (2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine

(2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine (PubChem CID 160671202) has the molecular formula C60H78N6O6 and a molecular weight of 979.32 g/mol. Its IUPAC name is (2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine.

Molecular Properties

Compound Name(2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine
PubChem CID160671202
Molecular FormulaC60H78N6O6
Molecular Weight979.32 g/mol
Exact Mass978.60
IUPAC Name(2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine
SMILESCOc1ccc(CCc2ccccc2OCC2CNCCN2)cc1.COc1ccc(CCc2ccccc2OC[C@@H]2CNCCN2)cc1.COc1ccc(CCc2ccccc2OC[C@H]2CNCCN2)cc1
InChIInChI=1S/3C20H26N2O2/c3*1-23-19-10-7-16(8-11-19)6-9-17-4-2-3-5-20(17)24-15-18-14-21-12-13-22-18/h3*2-5,7-8,10-11,18,21-22H,6,9,12-15H2,1H3/t2*18-;/m10./s1
InChIKeyRMYJAFLNMAGDGT-OZRDHYJWSA-N
XLogP7.26
TPSA127.56 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500979.32
LogP ≤ 57.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze (2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine with MolForge

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Related Compounds

(R/S)-2-((4-benzylphenoxy)methyl)piperazine
CID 46888243
4-[2-[4-[1-[4-(2-Morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine
CID 24753965
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]piperazine
CID 44326084
(2S)-2-benzyl-4-[(1S)-1-benzyl-2-[2-[[(2S)-2-benzylpiperazin-1-yl]methyl]pyrrolidin-1-yl]ethyl]-1-[2-(4-ethoxyphenyl)ethyl]piperazine
CID 46883267
1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine
CID 71817366
CID 132542930
CID 132542930
(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
CID 171348097
(2R,5R)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
CID 171356656
(2S,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
CID 171358149
Dianin Morpholine Clathrate
CID 139179386
4-[(1E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-yl]phenyl sulfate
CID 172991453
1-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]-4-methylpiperazine;N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]ethanamine;morpholine
CID 159788404

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine?
The IUPAC name of (2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine (CID 160671202) is (2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine.
What is the SMILES notation for (2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine?
The canonical SMILES for (2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine is COc1ccc(CCc2ccccc2OCC2CNCCN2)cc1.COc1ccc(CCc2ccccc2OC[C@@H]2CNCCN2)cc1.COc1ccc(CCc2ccccc2OC[C@H]2CNCCN2)cc1.
What is the InChIKey of (2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine?
The InChIKey is RMYJAFLNMAGDGT-OZRDHYJWSA-N. The full InChI is InChI=1S/3C20H26N2O2/c3*1-23-19-10-7-16(8-11-19)6-9-17-4-2-3-5-20(17)24-15-18-14-21-12-13-22-18/h3*2-5,7-8,10-11,18,21-22H,6,9,12-15H2,1H3/t2*18-;/m10./s1.
What are the key properties of (2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine?
(2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine has a molecular weight of 979.32 g/mol, XLogP of 7.26, 21 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;(2S)-2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine;2-[[2-[2-(4-methoxyphenyl)ethyl]phenoxy]methyl]piperazine is sourced from PubChem (CID 160671202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).