1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine

C21H24F3NO — CID 141113382

IUPAC1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine
SMILESFC(F)(F)Oc1ccc(CCCC2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24F3NO/c22-21(23,24)26-20-11-9-17(10-12-20)5-4-6-18-13-15-25(16-14-18)19-7-2-1-3-8-19/h1-3,7-12,18H,4-6,13-16H2
InChIKeyAWCQHEMNSJMTLR-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.82
Rot. Bonds6

About 1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine

1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine (PubChem CID 141113382) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine.

Molecular Properties

Compound Name1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine
PubChem CID141113382
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine
SMILESFC(F)(F)Oc1ccc(CCCC2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24F3NO/c22-21(23,24)26-20-11-9-17(10-12-20)5-4-6-18-13-15-25(16-14-18)19-7-2-1-3-8-19/h1-3,7-12,18H,4-6,13-16H2
InChIKeyAWCQHEMNSJMTLR-UHFFFAOYSA-N
XLogP5.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine?
The IUPAC name of 1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine (CID 141113382) is 1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine.
What is the SMILES notation for 1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine?
The canonical SMILES for 1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine is FC(F)(F)Oc1ccc(CCCC2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine?
The InChIKey is AWCQHEMNSJMTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO/c22-21(23,24)26-20-11-9-17(10-12-20)5-4-6-18-13-15-25(16-14-18)19-7-2-1-3-8-19/h1-3,7-12,18H,4-6,13-16H2.
What are the key properties of 1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine?
1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine has a molecular weight of 363.42 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine is sourced from PubChem (CID 141113382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).