(2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol

C28H33NO — CID 44598248

IUPAC(2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol
SMILESOC[C@@H](c1ccccc1)N1[C@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1
InChIInChI=1S/C28H33NO/c30-22-28(25-14-8-3-9-15-25)29-26(18-16-23-10-4-1-5-11-23)20-21-27(29)19-17-24-12-6-2-7-13-24/h1-15,26-28,30H,16-22H2/t26-,27+,28-/m0/s1
InChIKeyZEOMJYZHMPLSJT-IARZGTGTSA-N
MW399.58 g/mol
LogP5.82
Rot. Bonds9

About (2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol

(2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol (PubChem CID 44598248) has the molecular formula C28H33NO and a molecular weight of 399.58 g/mol. Its IUPAC name is (2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol
PubChem CID44598248
Molecular FormulaC28H33NO
Molecular Weight399.58 g/mol
Exact Mass399.26
IUPAC Name(2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol
SMILESOC[C@@H](c1ccccc1)N1[C@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1
InChIInChI=1S/C28H33NO/c30-22-28(25-14-8-3-9-15-25)29-26(18-16-23-10-4-1-5-11-23)20-21-27(29)19-17-24-12-6-2-7-13-24/h1-15,26-28,30H,16-22H2/t26-,27+,28-/m0/s1
InChIKeyZEOMJYZHMPLSJT-IARZGTGTSA-N
XLogP5.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol?
The IUPAC name of (2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol (CID 44598248) is (2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol is OC[C@@H](c1ccccc1)N1[C@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1.
What is the InChIKey of (2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol?
The InChIKey is ZEOMJYZHMPLSJT-IARZGTGTSA-N. The full InChI is InChI=1S/C28H33NO/c30-22-28(25-14-8-3-9-15-25)29-26(18-16-23-10-4-1-5-11-23)20-21-27(29)19-17-24-12-6-2-7-13-24/h1-15,26-28,30H,16-22H2/t26-,27+,28-/m0/s1.
What are the key properties of (2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol?
(2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol has a molecular weight of 399.58 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol is sourced from PubChem (CID 44598248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).