2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde

C13H14F3NO2 — CID 175242598

IUPAC2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)(F)F)cc1C1CCNCC1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)19-11-2-1-10(8-18)12(7-11)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2
InChIKeyOQSGWGRCIRXHPP-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.86
Rot. Bonds3

About 2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde

2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde (PubChem CID 175242598) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde
PubChem CID175242598
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)(F)F)cc1C1CCNCC1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)19-11-2-1-10(8-18)12(7-11)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2
InChIKeyOQSGWGRCIRXHPP-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 169452686
4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
CID 171115591
piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 23081458
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
tert-butyl formate;piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 174725134
4-[2-(oxan-4-ylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171115600
2-(bromomethyl)-4-(trifluoromethoxy)benzaldehyde
CID 170997735
4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine
CID 166120324
4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzaldehyde
CID 137406486
4-[2-(trifluoromethoxy)phenyl]azepane
CID 83262241
2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde
CID 58007717
2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 175913166

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde (CID 175242598) is 2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde is O=Cc1ccc(OC(F)(F)F)cc1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde?
The InChIKey is OQSGWGRCIRXHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)19-11-2-1-10(8-18)12(7-11)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2.
What are the key properties of 2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde?
2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde has a molecular weight of 273.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 175242598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).