4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

C30H28F3NO — CID 24782658

IUPAC4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C30H28F3NO/c31-30(32,33)26-18-22(17-24(19-26)28-12-6-8-23-7-4-5-11-27(23)28)20-35-21-29(13-15-34-16-14-29)25-9-2-1-3-10-25/h1-12,17-19,34H,13-16,20-21H2
InChIKeySSAVZJUOGAUDHO-UHFFFAOYSA-N
MW475.55 g/mol
LogP7.36
Rot. Bonds6

About 4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 24782658) has the molecular formula C30H28F3NO and a molecular weight of 475.55 g/mol. Its IUPAC name is 4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID24782658
Molecular FormulaC30H28F3NO
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C30H28F3NO/c31-30(32,33)26-18-22(17-24(19-26)28-12-6-8-23-7-4-5-11-27(23)28)20-35-21-29(13-15-34-16-14-29)25-9-2-1-3-10-25/h1-12,17-19,34H,13-16,20-21H2
InChIKeySSAVZJUOGAUDHO-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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Related Compounds

Litoxetine
CID 65650
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10047566
3'-(((4-Phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile
CID 24785978
2,6-Difluoro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 58993533
2,5-Difluoro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 58993655
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine
CID 10364638
4-(3-tert-Butyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10499624
4-Phenyl-4-(2-trifluoromethyl-benzyloxymethyl)-piperidine
CID 10548166
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-phenethyl-4-phenyl-piperidine
CID 10602065
4-Phenyl-4-(3-trifluoromethyl-benzyloxymethyl)-piperidine
CID 10620143
4-(3-tert-Butyl-5-methyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10834119
4-Phenyl-4-(4-trifluoromethyl-benzyloxymethyl)-piperidine
CID 19960248

Frequently Asked Questions

What is the IUPAC name of 4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 24782658) is 4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is SSAVZJUOGAUDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3NO/c31-30(32,33)26-18-22(17-24(19-26)28-12-6-8-23-7-4-5-11-27(23)28)20-35-21-29(13-15-34-16-14-29)25-9-2-1-3-10-25/h1-12,17-19,34H,13-16,20-21H2.
What are the key properties of 4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-naphthalen-1-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-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 24782658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).