(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol

C15H21F2NO — CID 28735300

IUPAC(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol
SMILESO[C@H](Cc1ccccc1)C1CCN(CC(F)F)CC1
InChIInChI=1S/C15H21F2NO/c16-15(17)11-18-8-6-13(7-9-18)14(19)10-12-4-2-1-3-5-12/h1-5,13-15,19H,6-11H2/t14-/m1/s1
InChIKeyILGBLEHQJOONFP-CQSZACIVSA-N
MW269.33 g/mol
LogP2.57
Rot. Bonds5

About (1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol

(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol (PubChem CID 28735300) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is (1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol
PubChem CID28735300
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol
SMILESO[C@H](Cc1ccccc1)C1CCN(CC(F)F)CC1
InChIInChI=1S/C15H21F2NO/c16-15(17)11-18-8-6-13(7-9-18)14(19)10-12-4-2-1-3-5-12/h1-5,13-15,19H,6-11H2/t14-/m1/s1
InChIKeyILGBLEHQJOONFP-CQSZACIVSA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]benzoic acid
CID 77097741
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292
1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol
CID 45174481
(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 95875963
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50950341
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-2-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 111994414
4-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 95875946
4-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 95888868
2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol
CID 95215735

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol?
The IUPAC name of (1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol (CID 28735300) is (1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol.
What is the SMILES notation for (1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol?
The canonical SMILES for (1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol is O[C@H](Cc1ccccc1)C1CCN(CC(F)F)CC1.
What is the InChIKey of (1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol?
The InChIKey is ILGBLEHQJOONFP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-15(17)11-18-8-6-13(7-9-18)14(19)10-12-4-2-1-3-5-12/h1-5,13-15,19H,6-11H2/t14-/m1/s1.
What are the key properties of (1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol?
(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol has a molecular weight of 269.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol is sourced from PubChem (CID 28735300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).