(2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol

C14H19F2NO3 — CID 10016901

IUPAC(2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol
SMILESC[C@H](c1ccccc1)N1C[C@@H](O)[C@H](O)[C@H](O)[C@@H]1C(F)F
InChIInChI=1S/C14H19F2NO3/c1-8(9-5-3-2-4-6-9)17-7-10(18)12(19)13(20)11(17)14(15)16/h2-6,8,10-14,18-20H,7H2,1H3/t8-,10-,11-,12+,13-/m1/s1
InChIKeyQZFKLXWGMILNTC-ZGYLKHSLSA-N
MW287.31 g/mol
LogP0.78
Rot. Bonds3

About (2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol

(2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol (PubChem CID 10016901) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol
PubChem CID10016901
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name(2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol
SMILESC[C@H](c1ccccc1)N1C[C@@H](O)[C@H](O)[C@H](O)[C@@H]1C(F)F
InChIInChI=1S/C14H19F2NO3/c1-8(9-5-3-2-4-6-9)17-7-10(18)12(19)13(20)11(17)14(15)16/h2-6,8,10-14,18-20H,7H2,1H3/t8-,10-,11-,12+,13-/m1/s1
InChIKeyQZFKLXWGMILNTC-ZGYLKHSLSA-N
XLogP0.78
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol with MolForge

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Related Compounds

(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 134930781
(2S,4S)-4-fluoro-1-(1-phenylethyl)pyrrolidine-2-carbonitrile
CID 176907962
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol
CID 12025791
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
2-[(2R,3R,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-1-(1-phenylethyl)pyrrolidin-2-yl]-N-ethylacetamide
CID 172784077
2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol
CID 90787196
2-methyl-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 10965971
2-(1-phenylethyl)-1,2-oxazolidin-4-ol
CID 130523178
2-methyl-1-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 131856193
1-(1-phenylethyl)aziridine-2-carboxamide
CID 3891776
(E)-2-[3-hydroxy-1-(1-phenylethyl)azetidin-2-yl]but-2-enedioic acid
CID 67905250

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol (CID 10016901) is (2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol is C[C@H](c1ccccc1)N1C[C@@H](O)[C@H](O)[C@H](O)[C@@H]1C(F)F.
What is the InChIKey of (2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol?
The InChIKey is QZFKLXWGMILNTC-ZGYLKHSLSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-8(9-5-3-2-4-6-9)17-7-10(18)12(19)13(20)11(17)14(15)16/h2-6,8,10-14,18-20H,7H2,1H3/t8-,10-,11-,12+,13-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol?
(2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol has a molecular weight of 287.31 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol is sourced from PubChem (CID 10016901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).