1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide

C13H17F3INO — CID 171929292

IUPAC1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
SMILESCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.I
InChIInChI=1S/C13H16F3NO.HI/c1-17-7-5-12(18,6-8-17)10-3-2-4-11(9-10)13(14,15)16;/h2-4,9,18H,5-8H2,1H3;1H
InChIKeyFSUOAMNBRCSWNS-UHFFFAOYSA-N
MW387.18 g/mol
LogP3.24
Rot. Bonds1

About 1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide

1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide (PubChem CID 171929292) has the molecular formula C13H17F3INO and a molecular weight of 387.18 g/mol. Its IUPAC name is 1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide.

Molecular Properties

Compound Name1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
PubChem CID171929292
Molecular FormulaC13H17F3INO
Molecular Weight387.18 g/mol
Exact Mass387.03
IUPAC Name1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
SMILESCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.I
InChIInChI=1S/C13H16F3NO.HI/c1-17-7-5-12(18,6-8-17)10-3-2-4-11(9-10)13(14,15)16;/h2-4,9,18H,5-8H2,1H3;1H
InChIKeyFSUOAMNBRCSWNS-UHFFFAOYSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
potassium 4-[3-(trifluoromethyl)phenyl]piperidin-1-id-4-ol
CID 143698382
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 56904857
(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 95897796
4-(3-chlorophenyl)-1-methylpiperidin-4-ol;ethane
CID 144802355
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3784702
(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56912424
N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide
CID 171986071
1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 24815354
6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 72885433
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide?
The IUPAC name of 1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide (CID 171929292) is 1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide.
What is the SMILES notation for 1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide?
The canonical SMILES for 1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide is CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.I.
What is the InChIKey of 1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide?
The InChIKey is FSUOAMNBRCSWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO.HI/c1-17-7-5-12(18,6-8-17)10-3-2-4-11(9-10)13(14,15)16;/h2-4,9,18H,5-8H2,1H3;1H.
What are the key properties of 1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide?
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide has a molecular weight of 387.18 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide is sourced from PubChem (CID 171929292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).