1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine

C30H38N2O2 — CID 46068807

IUPAC1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine
SMILESCOc1ccccc1N1CCN(CCC(Oc2cc(C)cc(C(C)C)c2)c2ccccc2)CC1
InChIInChI=1S/C30H38N2O2/c1-23(2)26-20-24(3)21-27(22-26)34-29(25-10-6-5-7-11-25)14-15-31-16-18-32(19-17-31)28-12-8-9-13-30(28)33-4/h5-13,20-23,29H,14-19H2,1-4H3
InChIKeyIFGXQFBMPSKDJZ-UHFFFAOYSA-N
MW458.65 g/mol
LogP6.46
Rot. Bonds9

About 1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine

1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine (PubChem CID 46068807) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine
PubChem CID46068807
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC Name1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine
SMILESCOc1ccccc1N1CCN(CCC(Oc2cc(C)cc(C(C)C)c2)c2ccccc2)CC1
InChIInChI=1S/C30H38N2O2/c1-23(2)26-20-24(3)21-27(22-26)34-29(25-10-6-5-7-11-25)14-15-31-16-18-32(19-17-31)28-12-8-9-13-30(28)33-4/h5-13,20-23,29H,14-19H2,1-4H3
InChIKeyIFGXQFBMPSKDJZ-UHFFFAOYSA-N
XLogP6.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine
CID 92998444
1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine
CID 58057984
1-[3-(1,3-benzodioxol-5-yl)-3-phenoxypropyl]-4-(2-methoxyphenyl)piperazine
CID 101093529
1-[(3R)-3-(2-fluorophenyl)-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine
CID 93000836
1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine
CID 10623767
1-[3-(1,3-benzodioxol-5-yl)-3-(3-methyl-5-propan-2-ylphenoxy)propyl]-4-(4-fluorophenyl)piperazine
CID 42867967
4-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-methylphenyl)propoxy]benzoyl]amino]phenoxy]butanoic acid
CID 10439099
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl]cyclohexan-1-ol
CID 151295162
1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine
CID 42867847
2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 132657409
1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride
CID 11605620
1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride
CID 24848775

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine (CID 46068807) is 1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine is COc1ccccc1N1CCN(CCC(Oc2cc(C)cc(C(C)C)c2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine?
The InChIKey is IFGXQFBMPSKDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-23(2)26-20-24(3)21-27(22-26)34-29(25-10-6-5-7-11-25)14-15-31-16-18-32(19-17-31)28-12-8-9-13-30(28)33-4/h5-13,20-23,29H,14-19H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine?
1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine has a molecular weight of 458.65 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine is sourced from PubChem (CID 46068807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).