(3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol

C14H25F2NO3 — CID 166834284

IUPAC(3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESCC(F)(F)C1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1
InChIInChI=1S/C14H25F2NO3/c1-14(15,16)10-4-2-9(3-5-10)6-17-7-11(18)13(20)12(19)8-17/h9-13,18-20H,2-8H2,1H3/t9?,10?,11-,12+,13?
InChIKeyLKAOXMIUDLMXMF-ACDMLXGOSA-N
MW293.35 g/mol
LogP0.85
Rot. Bonds3

About (3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol

(3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (PubChem CID 166834284) has the molecular formula C14H25F2NO3 and a molecular weight of 293.35 g/mol. Its IUPAC name is (3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
PubChem CID166834284
Molecular FormulaC14H25F2NO3
Molecular Weight293.35 g/mol
Exact Mass293.18
IUPAC Name(3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESCC(F)(F)C1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1
InChIInChI=1S/C14H25F2NO3/c1-14(15,16)10-4-2-9(3-5-10)6-17-7-11(18)13(20)12(19)8-17/h9-13,18-20H,2-8H2,1H3/t9?,10?,11-,12+,13?
InChIKeyLKAOXMIUDLMXMF-ACDMLXGOSA-N
XLogP0.85
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol with MolForge

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Related Compounds

US12528773, Example 1
CID 157039029
(3S,4R,5R)-1-(((1r,4R)-4-(difluoromethyl)cyclohexyl)methyl)piperidine-3,4,5-triol and (3S,4R,5R)-1-(((1s,4S)-4-(difluoromethyl)cyclohexyl)methyl)piperidine-3,4,5-triol
CID 157039128
US12528773, Example 3
CID 166834305
(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 51356490
5-Cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049568
5-Cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049639
5-Cyclohexyl-1-[methyl(1,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049640
Butyl-5-(difluoromethyl)piperidine 3,4-diol
CID 75631375
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
CID 118321426
(3R,4R)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 134386637
(3R,4R,5S)-5-(difluoromethyl)-1-propylpiperidine-3,4-diol
CID 151560079
(4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 153064791

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (CID 166834284) is (3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is CC(F)(F)C1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1.
What is the InChIKey of (3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The InChIKey is LKAOXMIUDLMXMF-ACDMLXGOSA-N. The full InChI is InChI=1S/C14H25F2NO3/c1-14(15,16)10-4-2-9(3-5-10)6-17-7-11(18)13(20)12(19)8-17/h9-13,18-20H,2-8H2,1H3/t9?,10?,11-,12+,13?.
What are the key properties of (3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
(3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol has a molecular weight of 293.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 166834284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).