4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine

C16H22F3NO — CID 57448048

IUPAC4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(C(F)(F)F)c2OC)CC1
InChIInChI=1S/C16H22F3NO/c1-3-9-20-10-7-12(8-11-20)13-5-4-6-14(15(13)21-2)16(17,18)19/h4-6,12H,3,7-11H2,1-2H3
InChIKeyJMBLFHIFHFPVCB-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.30
Rot. Bonds4

About 4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine

4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine (PubChem CID 57448048) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine.

Molecular Properties

Compound Name4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine
PubChem CID57448048
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(C(F)(F)F)c2OC)CC1
InChIInChI=1S/C16H22F3NO/c1-3-9-20-10-7-12(8-11-20)13-5-4-6-14(15(13)21-2)16(17,18)19/h4-6,12H,3,7-11H2,1-2H3
InChIKeyJMBLFHIFHFPVCB-UHFFFAOYSA-N
XLogP4.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine 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-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine?
The IUPAC name of 4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine (CID 57448048) is 4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine.
What is the SMILES notation for 4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine?
The canonical SMILES for 4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine is CCCN1CCC(c2cccc(C(F)(F)F)c2OC)CC1.
What is the InChIKey of 4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine?
The InChIKey is JMBLFHIFHFPVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-3-9-20-10-7-12(8-11-20)13-5-4-6-14(15(13)21-2)16(17,18)19/h4-6,12H,3,7-11H2,1-2H3.
What are the key properties of 4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine?
4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine has a molecular weight of 301.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(trifluoromethyl)phenyl]-1-propylpiperidine is sourced from PubChem (CID 57448048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).