(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine

C32H34N2O2 — CID 171348097

IUPAC(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESc1ccc(COc2ccc(C[C@H]3CN[C@H](Cc4ccc(OCc5ccccc5)cc4)CN3)cc2)cc1
InChIInChI=1S/C32H34N2O2/c1-3-7-27(8-4-1)23-35-31-15-11-25(12-16-31)19-29-21-34-30(22-33-29)20-26-13-17-32(18-14-26)36-24-28-9-5-2-6-10-28/h1-18,29-30,33-34H,19-24H2/t29-,30+
InChIKeyXSWBEJKMNOIXIH-RNPORBBMSA-N
MW478.64 g/mol
LogP5.56
Rot. Bonds10

About (2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine

(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 171348097) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is (2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID171348097
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC Name(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESc1ccc(COc2ccc(C[C@H]3CN[C@H](Cc4ccc(OCc5ccccc5)cc4)CN3)cc2)cc1
InChIInChI=1S/C32H34N2O2/c1-3-7-27(8-4-1)23-35-31-15-11-25(12-16-31)19-29-21-34-30(22-33-29)20-26-13-17-32(18-14-26)36-24-28-9-5-2-6-10-28/h1-18,29-30,33-34H,19-24H2/t29-,30+
InChIKeyXSWBEJKMNOIXIH-RNPORBBMSA-N
XLogP5.56
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15386758
4-[[(2R,5R)-5-benzylpiperazin-2-yl]methyl]phenol
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(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155535405
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CID 156694250
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(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
CID 171196929
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
methyl (2S,5S)-6-oxo-5-[(4-phenylmethoxyphenyl)methyl]piperazine-2-carboxylate
CID 13057035
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
(3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155546623

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of (2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine (CID 171348097) is (2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for (2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for (2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine is c1ccc(COc2ccc(C[C@H]3CN[C@H](Cc4ccc(OCc5ccccc5)cc4)CN3)cc2)cc1.
What is the InChIKey of (2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is XSWBEJKMNOIXIH-RNPORBBMSA-N. The full InChI is InChI=1S/C32H34N2O2/c1-3-7-27(8-4-1)23-35-31-15-11-25(12-16-31)19-29-21-34-30(22-33-29)20-26-13-17-32(18-14-26)36-24-28-9-5-2-6-10-28/h1-18,29-30,33-34H,19-24H2/t29-,30+.
What are the key properties of (2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine?
(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 478.64 g/mol, XLogP of 5.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171348097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).