(3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol

C14H24F3NO3 — CID 157039198

IUPAC(3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(CCC2CCC(C(F)(F)F)CC2)C[C@@H]1O
InChIInChI=1S/C14H24F3NO3/c15-14(16,17)10-3-1-9(2-4-10)5-6-18-7-11(19)13(21)12(20)8-18/h9-13,19-21H,1-8H2/t9?,10?,11-,12+,13?
InChIKeyXVKGSVZYYWCHQA-ACDMLXGOSA-N
MW311.34 g/mol
LogP1.14
Rot. Bonds3

About (3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol

(3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol (PubChem CID 157039198) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol
PubChem CID157039198
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Name(3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(CCC2CCC(C(F)(F)F)CC2)C[C@@H]1O
InChIInChI=1S/C14H24F3NO3/c15-14(16,17)10-3-1-9(2-4-10)5-6-18-7-11(19)13(21)12(20)8-18/h9-13,19-21H,1-8H2/t9?,10?,11-,12+,13?
InChIKeyXVKGSVZYYWCHQA-ACDMLXGOSA-N
XLogP1.14
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol?
The IUPAC name of (3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol (CID 157039198) is (3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol.
What is the SMILES notation for (3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol?
The canonical SMILES for (3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol is OC1[C@H](O)CN(CCC2CCC(C(F)(F)F)CC2)C[C@@H]1O.
What is the InChIKey of (3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol?
The InChIKey is XVKGSVZYYWCHQA-ACDMLXGOSA-N. The full InChI is InChI=1S/C14H24F3NO3/c15-14(16,17)10-3-1-9(2-4-10)5-6-18-7-11(19)13(21)12(20)8-18/h9-13,19-21H,1-8H2/t9?,10?,11-,12+,13?.
What are the key properties of (3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol?
(3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol has a molecular weight of 311.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157039198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).