1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine

C27H32N2O2 — CID 1049225

IUPAC1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine
SMILESCN1CCN(CC[C@H](Oc2ccccc2OCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H32N2O2/c1-28-18-20-29(21-19-28)17-16-25(24-12-6-3-7-13-24)31-27-15-9-8-14-26(27)30-22-23-10-4-2-5-11-23/h2-15,25H,16-22H2,1H3/t25-/m0/s1
InChIKeyVLFRFTIUJYIZDW-VWLOTQADSA-N
MW416.57 g/mol
LogP5.02
Rot. Bonds9

About 1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine

1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine (PubChem CID 1049225) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine
PubChem CID1049225
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine
SMILESCN1CCN(CC[C@H](Oc2ccccc2OCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H32N2O2/c1-28-18-20-29(21-19-28)17-16-25(24-12-6-3-7-13-24)31-27-15-9-8-14-26(27)30-22-23-10-4-2-5-11-23/h2-15,25H,16-22H2,1H3/t25-/m0/s1
InChIKeyVLFRFTIUJYIZDW-VWLOTQADSA-N
XLogP5.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride
CID 50987098
N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
CID 3061511
1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 2961785
1-[3-(3-chlorophenyl)-3-(2-propan-2-ylphenoxy)propyl]-4-methylpiperazine
CID 42867979
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308
1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 172648016
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
1-benzyl-4-[3-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)propyl]piperazine
CID 42867881
1-benzyl-4-[3-(3-chlorophenyl)-3-(2-methoxy-4-methylphenoxy)propyl]piperazine
CID 46068930

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine?
The IUPAC name of 1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine (CID 1049225) is 1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine is CN1CCN(CC[C@H](Oc2ccccc2OCc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine?
The InChIKey is VLFRFTIUJYIZDW-VWLOTQADSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-28-18-20-29(21-19-28)17-16-25(24-12-6-3-7-13-24)31-27-15-9-8-14-26(27)30-22-23-10-4-2-5-11-23/h2-15,25H,16-22H2,1H3/t25-/m0/s1.
What are the key properties of 1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine?
1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine has a molecular weight of 416.57 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine is sourced from PubChem (CID 1049225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).