1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol

C16H16F3N3O — CID 13362210

IUPAC1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)12-3-1-2-11(10-12)14-4-5-15(21-20-14)22-8-6-13(23)7-9-22/h1-5,10,13,23H,6-9H2
InChIKeyGYUYUTJBHAGJOQ-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.12
Rot. Bonds2

About 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol

1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol (PubChem CID 13362210) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol
PubChem CID13362210
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)12-3-1-2-11(10-12)14-4-5-15(21-20-14)22-8-6-13(23)7-9-22/h1-5,10,13,23H,6-9H2
InChIKeyGYUYUTJBHAGJOQ-UHFFFAOYSA-N
XLogP3.12
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol (CID 13362210) is 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol is OC1CCN(c2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC1.
What is the InChIKey of 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol?
The InChIKey is GYUYUTJBHAGJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)12-3-1-2-11(10-12)14-4-5-15(21-20-14)22-8-6-13(23)7-9-22/h1-5,10,13,23H,6-9H2.
What are the key properties of 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol?
1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol has a molecular weight of 323.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol is sourced from PubChem (CID 13362210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).