(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol

C7H12F3NO — CID 58177274

IUPAC(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol
SMILESCN1C[C@@H](O)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-11-3-5(7(8,9)10)2-6(12)4-11/h5-6,12H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeySQVJOCIRFOWFAD-RITPCOANSA-N
MW183.17 g/mol
LogP0.86
Rot. Bonds

About (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol

(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol (PubChem CID 58177274) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol
PubChem CID58177274
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol
SMILESCN1C[C@@H](O)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-11-3-5(7(8,9)10)2-6(12)4-11/h5-6,12H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeySQVJOCIRFOWFAD-RITPCOANSA-N
XLogP0.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol (CID 58177274) is (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol is CN1C[C@@H](O)C[C@@H](C(F)(F)F)C1.
What is the InChIKey of (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol?
The InChIKey is SQVJOCIRFOWFAD-RITPCOANSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11-3-5(7(8,9)10)2-6(12)4-11/h5-6,12H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol?
(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol has a molecular weight of 183.17 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 58177274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).