(2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol

C21H27NO — CID 52944989

IUPAC(2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol
SMILESOC[C@H](c1ccccc1)[C@H]1CCCCN1CCc1ccccc1
InChIInChI=1S/C21H27NO/c23-17-20(19-11-5-2-6-12-19)21-13-7-8-15-22(21)16-14-18-9-3-1-4-10-18/h1-6,9-12,20-21,23H,7-8,13-17H2/t20-,21-/m1/s1
InChIKeyBWPOQJVXDJYEQS-NHCUHLMSSA-N
MW309.45 g/mol
LogP3.86
Rot. Bonds6

About (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol

(2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol (PubChem CID 52944989) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol
PubChem CID52944989
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol
SMILESOC[C@H](c1ccccc1)[C@H]1CCCCN1CCc1ccccc1
InChIInChI=1S/C21H27NO/c23-17-20(19-11-5-2-6-12-19)21-13-7-8-15-22(21)16-14-18-9-3-1-4-10-18/h1-6,9-12,20-21,23H,7-8,13-17H2/t20-,21-/m1/s1
InChIKeyBWPOQJVXDJYEQS-NHCUHLMSSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol (CID 52944989) is (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol is OC[C@H](c1ccccc1)[C@H]1CCCCN1CCc1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol?
The InChIKey is BWPOQJVXDJYEQS-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H27NO/c23-17-20(19-11-5-2-6-12-19)21-13-7-8-15-22(21)16-14-18-9-3-1-4-10-18/h1-6,9-12,20-21,23H,7-8,13-17H2/t20-,21-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol?
(2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol has a molecular weight of 309.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 52944989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).