1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

C11H14F3N3O — CID 102717208

IUPAC1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESNc1cc(C(F)(F)F)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)7-5-9(15)16-10(6-7)17-3-1-8(18)2-4-17/h5-6,8,18H,1-4H2,(H2,15,16)
InChIKeyPNRSLDMGIQVZOI-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.64
Rot. Bonds1

About 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (PubChem CID 102717208) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
PubChem CID102717208
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESNc1cc(C(F)(F)F)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)7-5-9(15)16-10(6-7)17-3-1-8(18)2-4-17/h5-6,8,18H,1-4H2,(H2,15,16)
InChIKeyPNRSLDMGIQVZOI-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (CID 102717208) is 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is Nc1cc(C(F)(F)F)cc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is PNRSLDMGIQVZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)7-5-9(15)16-10(6-7)17-3-1-8(18)2-4-17/h5-6,8,18H,1-4H2,(H2,15,16).
What are the key properties of 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 261.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 102717208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).