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

C14H18F3NO2 — CID 137484018

IUPAC(2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC[C@@H]1C[C@H](O)CCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)11-3-1-10(2-4-11)8-18-6-5-13(20)7-12(18)9-19/h1-4,12-13,19-20H,5-9H2/t12-,13+/m0/s1
InChIKeyOIIITTJDBUEAIK-QWHCGFSZSA-N
MW289.30 g/mol
LogP2.02
Rot. Bonds3

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

(2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 137484018) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID137484018
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC[C@@H]1C[C@H](O)CCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)11-3-1-10(2-4-11)8-18-6-5-13(20)7-12(18)9-19/h1-4,12-13,19-20H,5-9H2/t12-,13+/m0/s1
InChIKeyOIIITTJDBUEAIK-QWHCGFSZSA-N
XLogP2.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of (2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 137484018) is (2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for (2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for (2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is OC[C@@H]1C[C@H](O)CCN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is OIIITTJDBUEAIK-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)11-3-1-10(2-4-11)8-18-6-5-13(20)7-12(18)9-19/h1-4,12-13,19-20H,5-9H2/t12-,13+/m0/s1.
What are the key properties of (2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
(2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 289.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 137484018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).