5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol

C15H15F3N4O — CID 166751707

IUPAC5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol
SMILESOc1cncc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)11-1-2-14(20-8-11)22-5-3-21(4-6-22)12-7-13(23)10-19-9-12/h1-2,7-10,23H,3-6H2
InChIKeyMVQNZZHBKRMIIH-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.53
Rot. Bonds2

About 5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol

5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol (PubChem CID 166751707) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol
PubChem CID166751707
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol
SMILESOc1cncc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)11-1-2-14(20-8-11)22-5-3-21(4-6-22)12-7-13(23)10-19-9-12/h1-2,7-10,23H,3-6H2
InChIKeyMVQNZZHBKRMIIH-UHFFFAOYSA-N
XLogP2.53
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol?
The IUPAC name of 5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol (CID 166751707) is 5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol.
What is the SMILES notation for 5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol?
The canonical SMILES for 5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol is Oc1cncc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1.
What is the InChIKey of 5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol?
The InChIKey is MVQNZZHBKRMIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)11-1-2-14(20-8-11)22-5-3-21(4-6-22)12-7-13(23)10-19-9-12/h1-2,7-10,23H,3-6H2.
What are the key properties of 5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol?
5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol has a molecular weight of 324.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol is sourced from PubChem (CID 166751707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).