(3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol

C14H19F2NO2 — CID 51356756

IUPAC(3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol
SMILESCc1ccc(CN2C[C@@H](O)[C@H](O)[C@@H](C(F)F)C2)cc1
InChIInChI=1S/C14H19F2NO2/c1-9-2-4-10(5-3-9)6-17-7-11(14(15)16)13(19)12(18)8-17/h2-5,11-14,18-19H,6-8H2,1H3/t11-,12+,13+/m0/s1
InChIKeyRGGCFNVKTVEOGJ-YNEHKIRRSA-N
MW271.31 g/mol
LogP1.41
Rot. Bonds3

About (3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol

(3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol (PubChem CID 51356756) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is (3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol
PubChem CID51356756
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol
SMILESCc1ccc(CN2C[C@@H](O)[C@H](O)[C@@H](C(F)F)C2)cc1
InChIInChI=1S/C14H19F2NO2/c1-9-2-4-10(5-3-9)6-17-7-11(14(15)16)13(19)12(18)8-17/h2-5,11-14,18-19H,6-8H2,1H3/t11-,12+,13+/m0/s1
InChIKeyRGGCFNVKTVEOGJ-YNEHKIRRSA-N
XLogP1.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol (CID 51356756) is (3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol is Cc1ccc(CN2C[C@@H](O)[C@H](O)[C@@H](C(F)F)C2)cc1.
What is the InChIKey of (3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol?
The InChIKey is RGGCFNVKTVEOGJ-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9-2-4-10(5-3-9)6-17-7-11(14(15)16)13(19)12(18)8-17/h2-5,11-14,18-19H,6-8H2,1H3/t11-,12+,13+/m0/s1.
What are the key properties of (3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol?
(3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol has a molecular weight of 271.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol is sourced from PubChem (CID 51356756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).