(2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol

C14H18F3NO3 — CID 137483994

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c15-14(16,17)10-3-1-9(2-4-10)7-18-6-5-12(20)13(21)11(18)8-19/h1-4,11-13,19-21H,5-8H2/t11-,12-,13-/m1/s1
InChIKeyCWSIKXVNYIRLPF-JHJVBQTASA-N
MW305.30 g/mol
LogP0.99
Rot. Bonds3

About (2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol

(2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol (PubChem CID 137483994) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol
PubChem CID137483994
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c15-14(16,17)10-3-1-9(2-4-10)7-18-6-5-12(20)13(21)11(18)8-19/h1-4,11-13,19-21H,5-8H2/t11-,12-,13-/m1/s1
InChIKeyCWSIKXVNYIRLPF-JHJVBQTASA-N
XLogP0.99
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol (CID 137483994) is (2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol is OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol?
The InChIKey is CWSIKXVNYIRLPF-JHJVBQTASA-N. The full InChI is InChI=1S/C14H18F3NO3/c15-14(16,17)10-3-1-9(2-4-10)7-18-6-5-12(20)13(21)11(18)8-19/h1-4,11-13,19-21H,5-8H2/t11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol?
(2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol has a molecular weight of 305.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3,4-diol is sourced from PubChem (CID 137483994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).