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

C15H26F3NO3 — CID 155286499

IUPAC(2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol
SMILESC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO3/c1-9-13(21)14(22)12(20)8-19(9)7-6-10-2-4-11(5-3-10)15(16,17)18/h9-14,20-22H,2-8H2,1H3/t9-,10?,11?,12+,13-,14-/m1/s1
InChIKeyYXNIQPRCBUWCJM-PKGPWNPJSA-N
MW325.37 g/mol
LogP1.53
Rot. Bonds3

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

(2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol (PubChem CID 155286499) has the molecular formula C15H26F3NO3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol
PubChem CID155286499
Molecular FormulaC15H26F3NO3
Molecular Weight325.37 g/mol
Exact Mass325.19
IUPAC Name(2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol
SMILESC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO3/c1-9-13(21)14(22)12(20)8-19(9)7-6-10-2-4-11(5-3-10)15(16,17)18/h9-14,20-22H,2-8H2,1H3/t9-,10?,11?,12+,13-,14-/m1/s1
InChIKeyYXNIQPRCBUWCJM-PKGPWNPJSA-N
XLogP1.53
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol (CID 155286499) is (2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol is C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol?
The InChIKey is YXNIQPRCBUWCJM-PKGPWNPJSA-N. The full InChI is InChI=1S/C15H26F3NO3/c1-9-13(21)14(22)12(20)8-19(9)7-6-10-2-4-11(5-3-10)15(16,17)18/h9-14,20-22H,2-8H2,1H3/t9-,10?,11?,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol has a molecular weight of 325.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol is sourced from PubChem (CID 155286499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).