2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine

C35H42F3NO3 — CID 155721063

IUPAC2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine
SMILESCC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C35H42F3NO3/c1-26-33(41-24-29-13-7-3-8-14-29)34(42-25-30-15-9-4-10-16-30)32(40-23-28-11-5-2-6-12-28)22-39(26)21-27-17-19-31(20-18-27)35(36,37)38/h2-16,26-27,31-34H,17-25H2,1H3
InChIKeyMNJAQPXYOOYLNR-UHFFFAOYSA-N
MW581.72 g/mol
LogP7.82
Rot. Bonds11

About 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine

2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine (PubChem CID 155721063) has the molecular formula C35H42F3NO3 and a molecular weight of 581.72 g/mol. Its IUPAC name is 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine.

Molecular Properties

Compound Name2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine
PubChem CID155721063
Molecular FormulaC35H42F3NO3
Molecular Weight581.72 g/mol
Exact Mass581.31
IUPAC Name2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine
SMILESCC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C35H42F3NO3/c1-26-33(41-24-29-13-7-3-8-14-29)34(42-25-30-15-9-4-10-16-30)32(40-23-28-11-5-2-6-12-28)22-39(26)21-27-17-19-31(20-18-27)35(36,37)38/h2-16,26-27,31-34H,17-25H2,1H3
InChIKeyMNJAQPXYOOYLNR-UHFFFAOYSA-N
XLogP7.82
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.72
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]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 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine?
The IUPAC name of 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine (CID 155721063) is 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine.
What is the SMILES notation for 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine?
The canonical SMILES for 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine is CC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine?
The InChIKey is MNJAQPXYOOYLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42F3NO3/c1-26-33(41-24-29-13-7-3-8-14-29)34(42-25-30-15-9-4-10-16-30)32(40-23-28-11-5-2-6-12-28)22-39(26)21-27-17-19-31(20-18-27)35(36,37)38/h2-16,26-27,31-34H,17-25H2,1H3.
What are the key properties of 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine?
2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine has a molecular weight of 581.72 g/mol, XLogP of 7.82, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine is sourced from PubChem (CID 155721063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).