4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

C17H18F3N3O — CID 56752332

IUPAC4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(c3cc(C(F)(F)F)ccn3)CC2)nc1
InChIInChI=1S/C17H18F3N3O/c1-12-2-3-14(22-11-12)16(24)5-8-23(9-6-16)15-10-13(4-7-21-15)17(18,19)20/h2-4,7,10-11,24H,5-6,8-9H2,1H3
InChIKeyLLRJRMVVJLNYCK-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.29
Rot. Bonds2

About 4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (PubChem CID 56752332) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
PubChem CID56752332
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(c3cc(C(F)(F)F)ccn3)CC2)nc1
InChIInChI=1S/C17H18F3N3O/c1-12-2-3-14(22-11-12)16(24)5-8-23(9-6-16)15-10-13(4-7-21-15)17(18,19)20/h2-4,7,10-11,24H,5-6,8-9H2,1H3
InChIKeyLLRJRMVVJLNYCK-UHFFFAOYSA-N
XLogP3.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (CID 56752332) is 4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is Cc1ccc(C2(O)CCN(c3cc(C(F)(F)F)ccn3)CC2)nc1.
What is the InChIKey of 4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is LLRJRMVVJLNYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-12-2-3-14(22-11-12)16(24)5-8-23(9-6-16)15-10-13(4-7-21-15)17(18,19)20/h2-4,7,10-11,24H,5-6,8-9H2,1H3.
What are the key properties of 4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 337.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 56752332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).