4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol

C13H20F3N3O — CID 111462342

IUPAC4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C13H20F3N3O/c14-13(15,16)11-9-17-12(18-11)10-3-6-19(7-4-10)5-1-2-8-20/h9-10,20H,1-8H2,(H,17,18)
InChIKeyZQOQIAWTGXEJMH-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.38
Rot. Bonds5

About 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol

4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol (PubChem CID 111462342) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol
PubChem CID111462342
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C13H20F3N3O/c14-13(15,16)11-9-17-12(18-11)10-3-6-19(7-4-10)5-1-2-8-20/h9-10,20H,1-8H2,(H,17,18)
InChIKeyZQOQIAWTGXEJMH-UHFFFAOYSA-N
XLogP2.38
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-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 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol (CID 111462342) is 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol is OCCCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol?
The InChIKey is ZQOQIAWTGXEJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c14-13(15,16)11-9-17-12(18-11)10-3-6-19(7-4-10)5-1-2-8-20/h9-10,20H,1-8H2,(H,17,18).
What are the key properties of 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol?
4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol has a molecular weight of 291.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 111462342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).