5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol

C17H26F3N3O2 — CID 67618868

IUPAC5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1cc(OC2CCNCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C17H26F3N3O2/c18-17(19,20)15-10-13(12-22-6-2-1-3-9-24)11-16(23-15)25-14-4-7-21-8-5-14/h10-11,14,21-22,24H,1-9,12H2
InChIKeySDDIGEMSLIBSDC-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.48
Rot. Bonds9

About 5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol

5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol (PubChem CID 67618868) has the molecular formula C17H26F3N3O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol
PubChem CID67618868
Molecular FormulaC17H26F3N3O2
Molecular Weight361.41 g/mol
Exact Mass361.20
IUPAC Name5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1cc(OC2CCNCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C17H26F3N3O2/c18-17(19,20)15-10-13(12-22-6-2-1-3-9-24)11-16(23-15)25-14-4-7-21-8-5-14/h10-11,14,21-22,24H,1-9,12H2
InChIKeySDDIGEMSLIBSDC-UHFFFAOYSA-N
XLogP2.48
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-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 5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol?
The IUPAC name of 5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol (CID 67618868) is 5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol?
The canonical SMILES for 5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol is OCCCCCNCc1cc(OC2CCNCC2)nc(C(F)(F)F)c1.
What is the InChIKey of 5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol?
The InChIKey is SDDIGEMSLIBSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O2/c18-17(19,20)15-10-13(12-22-6-2-1-3-9-24)11-16(23-15)25-14-4-7-21-8-5-14/h10-11,14,21-22,24H,1-9,12H2.
What are the key properties of 5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol?
5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol has a molecular weight of 361.41 g/mol, XLogP of 2.48, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]methylamino]pentan-1-ol is sourced from PubChem (CID 67618868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).