4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

C28H30F3NO — CID 10204441

IUPAC4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H30F3NO/c29-28(30,31)26-13-11-23(12-14-26)21-32-18-15-22(16-19-32)17-20-33-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2
InChIKeyUDMSYRXZKGVFNA-UHFFFAOYSA-N
MW453.55 g/mol
LogP7.11
Rot. Bonds8

About 4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 10204441) has the molecular formula C28H30F3NO and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID10204441
Molecular FormulaC28H30F3NO
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H30F3NO/c29-28(30,31)26-13-11-23(12-14-26)21-32-18-15-22(16-19-32)17-20-33-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2
InChIKeyUDMSYRXZKGVFNA-UHFFFAOYSA-N
XLogP7.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 10204441) is 4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is UDMSYRXZKGVFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3NO/c29-28(30,31)26-13-11-23(12-14-26)21-32-18-15-22(16-19-32)17-20-33-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 453.55 g/mol, XLogP of 7.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 10204441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).