4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

C30H28F3NO — CID 24783682

IUPAC4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C30H28F3NO/c31-30(32,33)28-17-22(16-26(19-28)25-11-10-23-6-4-5-7-24(23)18-25)20-35-21-29(12-14-34-15-13-29)27-8-2-1-3-9-27/h1-11,16-19,34H,12-15,20-21H2
InChIKeyHHTIYKWLSACTBN-UHFFFAOYSA-N
MW475.55 g/mol
LogP7.36
Rot. Bonds6

About 4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 24783682) has the molecular formula C30H28F3NO and a molecular weight of 475.55 g/mol. Its IUPAC name is 4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID24783682
Molecular FormulaC30H28F3NO
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C30H28F3NO/c31-30(32,33)28-17-22(16-26(19-28)25-11-10-23-6-4-5-7-24(23)18-25)20-35-21-29(12-14-34-15-13-29)27-8-2-1-3-9-27/h1-11,16-19,34H,12-15,20-21H2
InChIKeyHHTIYKWLSACTBN-UHFFFAOYSA-N
XLogP7.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 24783682) is 4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is HHTIYKWLSACTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3NO/c31-30(32,33)28-17-22(16-26(19-28)25-11-10-23-6-4-5-7-24(23)18-25)20-35-21-29(12-14-34-15-13-29)27-8-2-1-3-9-27/h1-11,16-19,34H,12-15,20-21H2.
What are the key properties of 4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine has a molecular weight of 475.55 g/mol, XLogP of 7.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 24783682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).