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

C13H17F3N2O — CID 75509394

IUPAC1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1ccc(CN2CCC(O)(C(F)(F)F)CC2)nc1
InChIInChI=1S/C13H17F3N2O/c1-10-2-3-11(17-8-10)9-18-6-4-12(19,5-7-18)13(14,15)16/h2-3,8,19H,4-7,9H2,1H3
InChIKeyHXVMOAAZWGSGBD-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.28
Rot. Bonds2

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

1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 75509394) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID75509394
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1ccc(CN2CCC(O)(C(F)(F)F)CC2)nc1
InChIInChI=1S/C13H17F3N2O/c1-10-2-3-11(17-8-10)9-18-6-4-12(19,5-7-18)13(14,15)16/h2-3,8,19H,4-7,9H2,1H3
InChIKeyHXVMOAAZWGSGBD-UHFFFAOYSA-N
XLogP2.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 75509394) is 1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol is Cc1ccc(CN2CCC(O)(C(F)(F)F)CC2)nc1.
What is the InChIKey of 1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is HXVMOAAZWGSGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-10-2-3-11(17-8-10)9-18-6-4-12(19,5-7-18)13(14,15)16/h2-3,8,19H,4-7,9H2,1H3.
What are the key properties of 1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 274.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 75509394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).