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

C19H21F3N2O2 — CID 176695730

IUPAC1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol
SMILESCN1CCC(O)(C(c2ccccc2)c2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C19H21F3N2O2/c1-24-11-9-18(25,10-12-24)17(14-5-3-2-4-6-14)16-8-7-15(13-23-16)26-19(20,21)22/h2-8,13,17,25H,9-12H2,1H3
InChIKeyANCFQSYWYBEAAK-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.57
Rot. Bonds4

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

1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol (PubChem CID 176695730) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol
PubChem CID176695730
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol
SMILESCN1CCC(O)(C(c2ccccc2)c2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C19H21F3N2O2/c1-24-11-9-18(25,10-12-24)17(14-5-3-2-4-6-14)16-8-7-15(13-23-16)26-19(20,21)22/h2-8,13,17,25H,9-12H2,1H3
InChIKeyANCFQSYWYBEAAK-UHFFFAOYSA-N
XLogP3.57
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol (CID 176695730) is 1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol is CN1CCC(O)(C(c2ccccc2)c2ccc(OC(F)(F)F)cn2)CC1.
What is the InChIKey of 1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol?
The InChIKey is ANCFQSYWYBEAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-24-11-9-18(25,10-12-24)17(14-5-3-2-4-6-14)16-8-7-15(13-23-16)26-19(20,21)22/h2-8,13,17,25H,9-12H2,1H3.
What are the key properties of 1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol?
1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol has a molecular weight of 366.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol is sourced from PubChem (CID 176695730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).