1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine

C22H30N2O2 — CID 1148322

IUPAC1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
SMILESCCOc1cc(CN2CCN(Cc3cccc(C)c3)CC2)ccc1OC
InChIInChI=1S/C22H30N2O2/c1-4-26-22-15-20(8-9-21(22)25-3)17-24-12-10-23(11-13-24)16-19-7-5-6-18(2)14-19/h5-9,14-15H,4,10-13,16-17H2,1-3H3
InChIKeyWFQQSVZOCZMTGM-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.72
Rot. Bonds7

About 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine

1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine (PubChem CID 1148322) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
PubChem CID1148322
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
SMILESCCOc1cc(CN2CCN(Cc3cccc(C)c3)CC2)ccc1OC
InChIInChI=1S/C22H30N2O2/c1-4-26-22-15-20(8-9-21(22)25-3)17-24-12-10-23(11-13-24)16-19-7-5-6-18(2)14-19/h5-9,14-15H,4,10-13,16-17H2,1-3H3
InChIKeyWFQQSVZOCZMTGM-UHFFFAOYSA-N
XLogP3.72
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597756
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 765023
1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine
CID 23792304
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43729859
(3S,4S)-4-hydroxy-1-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidine-3-carboxylic acid
CID 134702196
3-[4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856379
5,8-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 14577418
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 2846107
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine (CID 1148322) is 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine is CCOc1cc(CN2CCN(Cc3cccc(C)c3)CC2)ccc1OC.
What is the InChIKey of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine?
The InChIKey is WFQQSVZOCZMTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-4-26-22-15-20(8-9-21(22)25-3)17-24-12-10-23(11-13-24)16-19-7-5-6-18(2)14-19/h5-9,14-15H,4,10-13,16-17H2,1-3H3.
What are the key properties of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine?
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine has a molecular weight of 354.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 1148322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).