(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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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).