2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol

C30H38N4O3 — CID 67749832

IUPAC2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol
SMILESCOc1ccccc1N1CCN(CC(O)c2ccccc2)CC1CO[C@@H]1CNCCN1c1ccccc1
InChIInChI=1S/C30H38N4O3/c1-36-29-15-9-8-14-27(29)33-19-18-32(22-28(35)24-10-4-2-5-11-24)21-26(33)23-37-30-20-31-16-17-34(30)25-12-6-3-7-13-25/h2-15,26,28,30-31,35H,16-23H2,1H3/t26?,28?,30-/m1/s1
InChIKeyUHKOSQNZVAKGRM-IEZXHERLSA-N
MW502.66 g/mol
LogP3.37
Rot. Bonds9

About 2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol

2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol (PubChem CID 67749832) has the molecular formula C30H38N4O3 and a molecular weight of 502.66 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol
PubChem CID67749832
Molecular FormulaC30H38N4O3
Molecular Weight502.66 g/mol
Exact Mass502.29
IUPAC Name2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol
SMILESCOc1ccccc1N1CCN(CC(O)c2ccccc2)CC1CO[C@@H]1CNCCN1c1ccccc1
InChIInChI=1S/C30H38N4O3/c1-36-29-15-9-8-14-27(29)33-19-18-32(22-28(35)24-10-4-2-5-11-24)21-26(33)23-37-30-20-31-16-17-34(30)25-12-6-3-7-13-25/h2-15,26,28,30-31,35H,16-23H2,1H3/t26?,28?,30-/m1/s1
InChIKeyUHKOSQNZVAKGRM-IEZXHERLSA-N
XLogP3.37
TPSA60.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol (CID 67749832) is 2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol is COc1ccccc1N1CCN(CC(O)c2ccccc2)CC1CO[C@@H]1CNCCN1c1ccccc1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol?
The InChIKey is UHKOSQNZVAKGRM-IEZXHERLSA-N. The full InChI is InChI=1S/C30H38N4O3/c1-36-29-15-9-8-14-27(29)33-19-18-32(22-28(35)24-10-4-2-5-11-24)21-26(33)23-37-30-20-31-16-17-34(30)25-12-6-3-7-13-25/h2-15,26,28,30-31,35H,16-23H2,1H3/t26?,28?,30-/m1/s1.
What are the key properties of 2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol?
2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol has a molecular weight of 502.66 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-3-[[(2R)-1-phenylpiperazin-2-yl]oxymethyl]piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 67749832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).