1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol

C11H14F3N3O — CID 69043881

IUPAC1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol
SMILESNc1cnccc1N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10(18)3-1-5-17(7-10)9-2-4-16-6-8(9)15/h2,4,6,18H,1,3,5,7,15H2
InChIKeyIWKVQQZGXCRMOV-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.56
Rot. Bonds1

About 1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol

1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol (PubChem CID 69043881) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol
PubChem CID69043881
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol
SMILESNc1cnccc1N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10(18)3-1-5-17(7-10)9-2-4-16-6-8(9)15/h2,4,6,18H,1,3,5,7,15H2
InChIKeyIWKVQQZGXCRMOV-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of 1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol (CID 69043881) is 1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for 1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol is Nc1cnccc1N1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol?
The InChIKey is IWKVQQZGXCRMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)10(18)3-1-5-17(7-10)9-2-4-16-6-8(9)15/h2,4,6,18H,1,3,5,7,15H2.
What are the key properties of 1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol?
1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol has a molecular weight of 261.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)-3-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 69043881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).