(3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone

C13H14F3NO2 — CID 103900375

IUPAC(3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1O
InChIInChI=1S/C13H14F3NO2/c1-7-4-5-17(6-10(7)18)13(19)8-2-3-9(14)12(16)11(8)15/h2-3,7,10,18H,4-6H2,1H3
InChIKeyDWCOVOAOOZKFAM-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.95
Rot. Bonds1

About (3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone

(3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 103900375) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is (3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone
PubChem CID103900375
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1O
InChIInChI=1S/C13H14F3NO2/c1-7-4-5-17(6-10(7)18)13(19)8-2-3-9(14)12(16)11(8)15/h2-3,7,10,18H,4-6H2,1H3
InChIKeyDWCOVOAOOZKFAM-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone 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

(3,4-dihydroxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 106671138
(3-hydroxy-4-methylpiperidin-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 104580882
(2-bromo-3-fluorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102958136
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876
N'-hydroxy-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboximidamide
CID 79754702
(2,4-difluoro-3-methoxyphenyl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56894129
[4-(azepan-1-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110667097
1-(2,3,4-trifluorobenzoyl)piperidine-3-carbothioamide
CID 79749646
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 100611568
(5-chloro-2-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900209
(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
CID 102964750

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone (CID 103900375) is (3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone is CC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1O.
What is the InChIKey of (3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is DWCOVOAOOZKFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-7-4-5-17(6-10(7)18)13(19)8-2-3-9(14)12(16)11(8)15/h2-3,7,10,18H,4-6H2,1H3.
What are the key properties of (3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone?
(3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 273.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 103900375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).