4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine

C29H29F6NO — CID 10602065

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCN(CCc3ccccc3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C29H29F6NO/c30-28(31,32)25-17-23(18-26(19-25)29(33,34)35)20-37-21-27(24-9-5-2-6-10-24)12-15-36(16-13-27)14-11-22-7-3-1-4-8-22/h1-10,17-19H,11-16,20-21H2
InChIKeyMVFZYTRKQQVGAV-UHFFFAOYSA-N
MW521.55 g/mol
LogP7.52
Rot. Bonds8

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine

4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine (PubChem CID 10602065) has the molecular formula C29H29F6NO and a molecular weight of 521.55 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine
PubChem CID10602065
Molecular FormulaC29H29F6NO
Molecular Weight521.55 g/mol
Exact Mass521.22
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCN(CCc3ccccc3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C29H29F6NO/c30-28(31,32)25-17-23(18-26(19-25)29(33,34)35)20-37-21-27(24-9-5-2-6-10-24)12-15-36(16-13-27)14-11-22-7-3-1-4-8-22/h1-10,17-19H,11-16,20-21H2
InChIKeyMVFZYTRKQQVGAV-UHFFFAOYSA-N
XLogP7.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.55
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine 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-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine (CID 10602065) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCN(CCc3ccccc3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine?
The InChIKey is MVFZYTRKQQVGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F6NO/c30-28(31,32)25-17-23(18-26(19-25)29(33,34)35)20-37-21-27(24-9-5-2-6-10-24)12-15-36(16-13-27)14-11-22-7-3-1-4-8-22/h1-10,17-19H,11-16,20-21H2.
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine has a molecular weight of 521.55 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 10602065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).