1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine

C20H26N2O2 — CID 782865

IUPAC1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
SMILESCOc1ccc(CN2CCN(C)CC2)cc1OCc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-21-10-12-22(13-11-21)15-18-8-9-19(23-2)20(14-18)24-16-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyAEJMOICNPQKEQG-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.02
Rot. Bonds6

About 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine

1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine (PubChem CID 782865) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
PubChem CID782865
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
SMILESCOc1ccc(CN2CCN(C)CC2)cc1OCc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-21-10-12-22(13-11-21)15-18-8-9-19(23-2)20(14-18)24-16-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyAEJMOICNPQKEQG-UHFFFAOYSA-N
XLogP3.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 1148260
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 2902948
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 2880183
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
1-benzylsulfonyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 4647369
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine
CID 7026419
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 2846107
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine
CID 11863963
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine (CID 782865) is 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine is COc1ccc(CN2CCN(C)CC2)cc1OCc1ccccc1.
What is the InChIKey of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine?
The InChIKey is AEJMOICNPQKEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-21-10-12-22(13-11-21)15-18-8-9-19(23-2)20(14-18)24-16-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3.
What are the key properties of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine?
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine has a molecular weight of 326.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 782865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).