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

C14H24F3NO3 — CID 155286447

IUPAC(2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO3/c1-8-12(20)13(21)11(19)7-18(8)6-9-3-2-4-10(5-9)14(15,16)17/h8-13,19-21H,2-7H2,1H3/t8-,9+,10+,11+,12-,13-/m1/s1
InChIKeyBKRBHJOFVJAMFT-JIMTYQMOSA-N
MW311.34 g/mol
LogP1.14
Rot. Bonds2

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

(2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (PubChem CID 155286447) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
PubChem CID155286447
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Name(2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO3/c1-8-12(20)13(21)11(19)7-18(8)6-9-3-2-4-10(5-9)14(15,16)17/h8-13,19-21H,2-7H2,1H3/t8-,9+,10+,11+,12-,13-/m1/s1
InChIKeyBKRBHJOFVJAMFT-JIMTYQMOSA-N
XLogP1.14
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
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 (2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (CID 155286447) is (2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C[C@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The InChIKey is BKRBHJOFVJAMFT-JIMTYQMOSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-8-12(20)13(21)11(19)7-18(8)6-9-3-2-4-10(5-9)14(15,16)17/h8-13,19-21H,2-7H2,1H3/t8-,9+,10+,11+,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol has a molecular weight of 311.34 g/mol, XLogP of 1.14, 2 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-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 155286447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).