(3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

C14H18F3NO — CID 59131053

IUPAC(3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESC[C@@H]1CNC[C@H](C)C1(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-9-7-18-8-10(2)13(9,19)11-3-5-12(6-4-11)14(15,16)17/h3-6,9-10,18-19H,7-8H2,1-2H3/t9-,10+,13?
InChIKeyMGXITOOCQVRQIS-HWYHXSKPSA-N
MW273.30 g/mol
LogP2.77
Rot. Bonds1

About (3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

(3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 59131053) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID59131053
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESC[C@@H]1CNC[C@H](C)C1(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-9-7-18-8-10(2)13(9,19)11-3-5-12(6-4-11)14(15,16)17/h3-6,9-10,18-19H,7-8H2,1-2H3/t9-,10+,13?
InChIKeyMGXITOOCQVRQIS-HWYHXSKPSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol
CID 143088568
(3R,5S)-4-(4-isocyanophenyl)-3,5-dimethylpiperidin-4-ol
CID 59131034
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 62789048
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 62788683
(2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol
CID 10800306
(2S,6S)-2-methyl-6-(1,2-oxazol-3-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826686
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 117016861
1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 63909222
(1S,5S)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 58088333
(1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 143783814
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 155895975

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of (3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 59131053) is (3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for (3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for (3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is C[C@@H]1CNC[C@H](C)C1(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is MGXITOOCQVRQIS-HWYHXSKPSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9-7-18-8-10(2)13(9,19)11-3-5-12(6-4-11)14(15,16)17/h3-6,9-10,18-19H,7-8H2,1-2H3/t9-,10+,13?.
What are the key properties of (3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
(3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 273.30 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 59131053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).