(3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol

C11H14F3N3O — CID 141444675

IUPAC(3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol
SMILESN[C@@H]1CN(c2ccncc2)C[C@H](C(F)(F)F)[C@H]1O
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-5-17(6-9(15)10(8)18)7-1-3-16-4-2-7/h1-4,8-10,18H,5-6,15H2/t8-,9+,10+/m0/s1
InChIKeyGFOLPNFKSJHBAS-IVZWLZJFSA-N
MW261.25 g/mol
LogP0.77
Rot. Bonds1

About (3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol

(3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol (PubChem CID 141444675) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is (3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol
PubChem CID141444675
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name(3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol
SMILESN[C@@H]1CN(c2ccncc2)C[C@H](C(F)(F)F)[C@H]1O
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-5-17(6-9(15)10(8)18)7-1-3-16-4-2-7/h1-4,8-10,18H,5-6,15H2/t8-,9+,10+/m0/s1
InChIKeyGFOLPNFKSJHBAS-IVZWLZJFSA-N
XLogP0.77
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of (3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol (CID 141444675) is (3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for (3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for (3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol is N[C@@H]1CN(c2ccncc2)C[C@H](C(F)(F)F)[C@H]1O.
What is the InChIKey of (3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol?
The InChIKey is GFOLPNFKSJHBAS-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)8-5-17(6-9(15)10(8)18)7-1-3-16-4-2-7/h1-4,8-10,18H,5-6,15H2/t8-,9+,10+/m0/s1.
What are the key properties of (3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol?
(3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol has a molecular weight of 261.25 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 141444675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).