(2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine

C27H32N2 — CID 11964187

IUPAC(2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine
SMILESC[C@H](c1ccccc1)N1CCN(Cc2ccccc2)[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C27H32N2/c1-23(26-15-9-4-10-16-26)28-19-20-29(21-25-13-7-3-8-14-25)27(22-28)18-17-24-11-5-2-6-12-24/h2-16,23,27H,17-22H2,1H3/t23-,27+/m1/s1
InChIKeyUENNVAYDAXKQTA-KCWPFWIISA-N
MW384.57 g/mol
LogP5.57
Rot. Bonds7

About (2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine

(2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine (PubChem CID 11964187) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is (2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name(2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine
PubChem CID11964187
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC Name(2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine
SMILESC[C@H](c1ccccc1)N1CCN(Cc2ccccc2)[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C27H32N2/c1-23(26-15-9-4-10-16-26)28-19-20-29(21-25-13-7-3-8-14-25)27(22-28)18-17-24-11-5-2-6-12-24/h2-16,23,27H,17-22H2,1H3/t23-,27+/m1/s1
InChIKeyUENNVAYDAXKQTA-KCWPFWIISA-N
XLogP5.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine
CID 142660934
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine
CID 102227667
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
1-tert-butyl-2-(2-phenylethyl)aziridine
CID 155929239
(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine
CID 44598246
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
CID 58860688
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine?
The IUPAC name of (2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine (CID 11964187) is (2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine.
What is the SMILES notation for (2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine?
The canonical SMILES for (2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine is C[C@H](c1ccccc1)N1CCN(Cc2ccccc2)[C@@H](CCc2ccccc2)C1.
What is the InChIKey of (2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine?
The InChIKey is UENNVAYDAXKQTA-KCWPFWIISA-N. The full InChI is InChI=1S/C27H32N2/c1-23(26-15-9-4-10-16-26)28-19-20-29(21-25-13-7-3-8-14-25)27(22-28)18-17-24-11-5-2-6-12-24/h2-16,23,27H,17-22H2,1H3/t23-,27+/m1/s1.
What are the key properties of (2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine?
(2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine has a molecular weight of 384.57 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine is sourced from PubChem (CID 11964187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).