1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine

C29H36N2O — CID 92998444

IUPAC1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine
SMILESCc1cc(O[C@H](CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc(C(C)C)c1
InChIInChI=1S/C29H36N2O/c1-23(2)26-20-24(3)21-28(22-26)32-29(25-10-6-4-7-11-25)14-15-30-16-18-31(19-17-30)27-12-8-5-9-13-27/h4-13,20-23,29H,14-19H2,1-3H3/t29-/m1/s1
InChIKeyQLYGAVWUTDKWGX-GDLZYMKVSA-N
MW428.62 g/mol
LogP6.45
Rot. Bonds8

About 1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine

1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine (PubChem CID 92998444) has the molecular formula C29H36N2O and a molecular weight of 428.62 g/mol. Its IUPAC name is 1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine
PubChem CID92998444
Molecular FormulaC29H36N2O
Molecular Weight428.62 g/mol
Exact Mass428.28
IUPAC Name1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine
SMILESCc1cc(O[C@H](CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc(C(C)C)c1
InChIInChI=1S/C29H36N2O/c1-23(2)26-20-24(3)21-28(22-26)32-29(25-10-6-4-7-11-25)14-15-30-16-18-31(19-17-30)27-12-8-5-9-13-27/h4-13,20-23,29H,14-19H2,1-3H3/t29-/m1/s1
InChIKeyQLYGAVWUTDKWGX-GDLZYMKVSA-N
XLogP6.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine
CID 46068807
1-[3-(1,3-benzodioxol-5-yl)-3-(3-methyl-5-propan-2-ylphenoxy)propyl]-4-(4-fluorophenyl)piperazine
CID 42867967
1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine
CID 42867847
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
1-(3,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-3-(4-methylphenoxy)propyl]piperazine
CID 42867816
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine
CID 67917207
1-[3-(3-methoxyphenyl)-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-methylpiperazine
CID 46071688
1-[(3S)-3-(3-methoxyphenyl)-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-methylpiperazine
CID 93000853
2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine
CID 58058011
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine?
The IUPAC name of 1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine (CID 92998444) is 1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine is Cc1cc(O[C@H](CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc(C(C)C)c1.
What is the InChIKey of 1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine?
The InChIKey is QLYGAVWUTDKWGX-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H36N2O/c1-23(2)26-20-24(3)21-28(22-26)32-29(25-10-6-4-7-11-25)14-15-30-16-18-31(19-17-30)27-12-8-5-9-13-27/h4-13,20-23,29H,14-19H2,1-3H3/t29-/m1/s1.
What are the key properties of 1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine?
1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine has a molecular weight of 428.62 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]-4-phenylpiperazine is sourced from PubChem (CID 92998444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).