(2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol

C14H18F3NO2 — CID 135067386

IUPAC(2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCN1[C@H](CO)C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-18-11(8-19)6-12(20)7-13(18)9-2-4-10(5-3-9)14(15,16)17/h2-5,11-13,19-20H,6-8H2,1H3/t11-,12-,13+/m0/s1
InChIKeyXMSBZWRIZPIJMG-RWMBFGLXSA-N
MW289.30 g/mol
LogP2.19
Rot. Bonds2

About (2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol

(2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 135067386) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID135067386
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCN1[C@H](CO)C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-18-11(8-19)6-12(20)7-13(18)9-2-4-10(5-3-9)14(15,16)17/h2-5,11-13,19-20H,6-8H2,1H3/t11-,12-,13+/m0/s1
InChIKeyXMSBZWRIZPIJMG-RWMBFGLXSA-N
XLogP2.19
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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US11214540, Example 38
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(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4,5-triol
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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of (2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 135067386) is (2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for (2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for (2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol is CN1[C@H](CO)C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is XMSBZWRIZPIJMG-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-18-11(8-19)6-12(20)7-13(18)9-2-4-10(5-3-9)14(15,16)17/h2-5,11-13,19-20H,6-8H2,1H3/t11-,12-,13+/m0/s1.
What are the key properties of (2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
(2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 289.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-2-(hydroxymethyl)-1-methyl-6-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 135067386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).