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

C13H23F2NO3 — CID 157039128

IUPAC(3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(CC2CCC(C(F)F)CC2)C[C@@H]1O
InChIInChI=1S/C13H23F2NO3/c14-13(15)9-3-1-8(2-4-9)5-16-6-10(17)12(19)11(18)7-16/h8-13,17-19H,1-7H2/t8?,9?,10-,11+,12?
InChIKeyWXQRMLCNRLWUAP-AWDSCPMSSA-N
MW279.33 g/mol
LogP0.46
Rot. Bonds3

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

(3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (PubChem CID 157039128) has the molecular formula C13H23F2NO3 and a molecular weight of 279.33 g/mol. Its IUPAC name is (3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
PubChem CID157039128
Molecular FormulaC13H23F2NO3
Molecular Weight279.33 g/mol
Exact Mass279.16
IUPAC Name(3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(CC2CCC(C(F)F)CC2)C[C@@H]1O
InChIInChI=1S/C13H23F2NO3/c14-13(15)9-3-1-8(2-4-9)5-16-6-10(17)12(19)11(18)7-16/h8-13,17-19H,1-7H2/t8?,9?,10-,11+,12?
InChIKeyWXQRMLCNRLWUAP-AWDSCPMSSA-N
XLogP0.46
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

US12528773, Example 1
CID 157039029
US12528773, Example 189
CID 166834197
(3S,4R,5R)-1-(((1s,4S)-4-(1,1-difluoroethyl)cyclohexyl)methyl)piperidine-3,4,5-triol and (3S,4R,5R)-1-(((1r,4R)-4-(1,1-difluoroethyl)cyclohexyl)methyl)piperidine-3,4,5-triol
CID 166834284
US12528773, Example 3
CID 166834305
(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 51356490
Butyl-5-(difluoromethyl)piperidine 3,4-diol
CID 75631375
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
CID 118321426
5-(Difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol
CID 123315092
1-[[4-(Trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 127889594
1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 128699600
(3R,4R)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 134386637
(3R,4R,5S)-5-(difluoromethyl)-1-propylpiperidine-3,4-diol
CID 151560079

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (CID 157039128) is (3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is OC1[C@H](O)CN(CC2CCC(C(F)F)CC2)C[C@@H]1O.
What is the InChIKey of (3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The InChIKey is WXQRMLCNRLWUAP-AWDSCPMSSA-N. The full InChI is InChI=1S/C13H23F2NO3/c14-13(15)9-3-1-8(2-4-9)5-16-6-10(17)12(19)11(18)7-16/h8-13,17-19H,1-7H2/t8?,9?,10-,11+,12?.
What are the key properties of (3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
(3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol has a molecular weight of 279.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157039128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).