(2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol

C15H23NO — CID 15327289

IUPAC(2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol
SMILESC[C@@H]1CCC[C@H](C)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-12-7-6-8-13(2)16(12)15(11-17)14-9-4-3-5-10-14/h3-5,9-10,12-13,15,17H,6-8,11H2,1-2H3/t12-,13+,15-/m0/s1
InChIKeyXYAYEUMCNZASSI-GUTXKFCHSA-N
MW233.36 g/mol
LogP2.98
Rot. Bonds3

About (2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol

(2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol (PubChem CID 15327289) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol
PubChem CID15327289
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol
SMILESC[C@@H]1CCC[C@H](C)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-12-7-6-8-13(2)16(12)15(11-17)14-9-4-3-5-10-14/h3-5,9-10,12-13,15,17H,6-8,11H2,1-2H3/t12-,13+,15-/m0/s1
InChIKeyXYAYEUMCNZASSI-GUTXKFCHSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4374
Methylephedrine
CID 64782
(1S,2S)-(+)-N-Methylpseudoephedrine
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Etafedrine
CID 94532
Cinnamedrine
CID 5370611
1-Benzylpiperidin-3-ol
CID 85773
N-Benzyl-N-methylethanolamine
CID 66876
Etafedrine Hydrochloride
CID 76964725
(1-Benzylpiperidin-4-yl)methanol
CID 736802
(2RS)-2-(Dimethylamino)-2-phenylbutanol
CID 3016037
(+/-)-threo-N-(4-Phenylbutyl)ritalinol
CID 52941366
(+/-)-threo-N-(3-Phenylpropyl)ritalinol
CID 52945256

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol?
The IUPAC name of (2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol (CID 15327289) is (2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol is C[C@@H]1CCC[C@H](C)N1[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol?
The InChIKey is XYAYEUMCNZASSI-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-7-6-8-13(2)16(12)15(11-17)14-9-4-3-5-10-14/h3-5,9-10,12-13,15,17H,6-8,11H2,1-2H3/t12-,13+,15-/m0/s1.
What are the key properties of (2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol?
(2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol has a molecular weight of 233.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylethanol is sourced from PubChem (CID 15327289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).