(3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride

C6H11ClF3NO — CID 163339172

IUPAC(3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CNC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-1-5(11)3-10-2-4;/h4-5,10-11H,1-3H2;1H/t4-,5+;/m0./s1
InChIKeyKMOIJADIGXGKHR-UYXJWNHNSA-N
MW205.61 g/mol
LogP0.94
Rot. Bonds

About (3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride

(3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride (PubChem CID 163339172) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is (3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride
PubChem CID163339172
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name(3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CNC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-1-5(11)3-10-2-4;/h4-5,10-11H,1-3H2;1H/t4-,5+;/m0./s1
InChIKeyKMOIJADIGXGKHR-UYXJWNHNSA-N
XLogP0.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride?
The IUPAC name of (3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride (CID 163339172) is (3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride?
The canonical SMILES for (3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride is Cl.O[C@H]1CNC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride?
The InChIKey is KMOIJADIGXGKHR-UYXJWNHNSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-1-5(11)3-10-2-4;/h4-5,10-11H,1-3H2;1H/t4-,5+;/m0./s1.
What are the key properties of (3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride?
(3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride is sourced from PubChem (CID 163339172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).