(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one

C15H18F3NO3 — CID 70722941

IUPAC(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
SMILESC[C@@H](O)C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3NO3/c1-10(20)14(21)19-7-5-12(6-8-19)22-13-4-2-3-11(9-13)15(16,17)18/h2-4,9-10,12,20H,5-8H2,1H3/t10-/m1/s1
InChIKeyLGZVVEIEWKRLFU-SNVBAGLBSA-N
MW317.31 g/mol
LogP2.46
Rot. Bonds3

About (2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one

(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one (PubChem CID 70722941) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
PubChem CID70722941
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
SMILESC[C@@H](O)C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3NO3/c1-10(20)14(21)19-7-5-12(6-8-19)22-13-4-2-3-11(9-13)15(16,17)18/h2-4,9-10,12,20H,5-8H2,1H3/t10-/m1/s1
InChIKeyLGZVVEIEWKRLFU-SNVBAGLBSA-N
XLogP2.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 131948055
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70750184
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
2-amino-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]acetaldehyde;hydrochloride
CID 87187234
(3S)-4-methyl-3-[2-oxo-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]piperazin-2-one
CID 26325608
tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293
2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
CID 67169798
4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 89332293
1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one
CID 110611152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one (CID 70722941) is (2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one is C[C@@H](O)C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one?
The InChIKey is LGZVVEIEWKRLFU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-10(20)14(21)19-7-5-12(6-8-19)22-13-4-2-3-11(9-13)15(16,17)18/h2-4,9-10,12,20H,5-8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one?
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one has a molecular weight of 317.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70722941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).