4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol

C11H14F3N3O — CID 167479090

IUPAC4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
SMILESOC1CNCCC1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)7-1-2-10(16-5-7)17-8-3-4-15-6-9(8)18/h1-2,5,8-9,15,18H,3-4,6H2,(H,16,17)
InChIKeyARJHJYPERAZJLX-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.24
Rot. Bonds2

About 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol

4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol (PubChem CID 167479090) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
PubChem CID167479090
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
SMILESOC1CNCCC1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)7-1-2-10(16-5-7)17-8-3-4-15-6-9(8)18/h1-2,5,8-9,15,18H,3-4,6H2,(H,16,17)
InChIKeyARJHJYPERAZJLX-UHFFFAOYSA-N
XLogP1.24
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661
2-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine;hydrochloride
CID 171371651
N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 103804882
2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118326054
N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 79870374
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66032182
N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 125498682
(2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 67953443
4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-sulfinic acid
CID 164877980
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
CID 119552569

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol?
The IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol (CID 167479090) is 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol is OC1CNCCC1Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol?
The InChIKey is ARJHJYPERAZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)7-1-2-10(16-5-7)17-8-3-4-15-6-9(8)18/h1-2,5,8-9,15,18H,3-4,6H2,(H,16,17).
What are the key properties of 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol?
4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol has a molecular weight of 261.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol is sourced from PubChem (CID 167479090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).