1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine

C27H25F6NO — CID 141238066

IUPAC1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine
SMILESCOc1ccc(CN2C(c3cccc(-c4ccc(C(F)(F)F)cc4)c3)CCCC2C(F)(F)F)cc1
InChIInChI=1S/C27H25F6NO/c1-35-23-14-8-18(9-15-23)17-34-24(6-3-7-25(34)27(31,32)33)21-5-2-4-20(16-21)19-10-12-22(13-11-19)26(28,29)30/h2,4-5,8-16,24-25H,3,6-7,17H2,1H3
InChIKeyKDMAZHRBULPPTJ-UHFFFAOYSA-N
MW493.49 g/mol
LogP8.04
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine

1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine (PubChem CID 141238066) has the molecular formula C27H25F6NO and a molecular weight of 493.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine
PubChem CID141238066
Molecular FormulaC27H25F6NO
Molecular Weight493.49 g/mol
Exact Mass493.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine
SMILESCOc1ccc(CN2C(c3cccc(-c4ccc(C(F)(F)F)cc4)c3)CCCC2C(F)(F)F)cc1
InChIInChI=1S/C27H25F6NO/c1-35-23-14-8-18(9-15-23)17-34-24(6-3-7-25(34)27(31,32)33)21-5-2-4-20(16-21)19-10-12-22(13-11-19)26(28,29)30/h2,4-5,8-16,24-25H,3,6-7,17H2,1H3
InChIKeyKDMAZHRBULPPTJ-UHFFFAOYSA-N
XLogP8.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]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 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine (CID 141238066) is 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine is COc1ccc(CN2C(c3cccc(-c4ccc(C(F)(F)F)cc4)c3)CCCC2C(F)(F)F)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine?
The InChIKey is KDMAZHRBULPPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6NO/c1-35-23-14-8-18(9-15-23)17-34-24(6-3-7-25(34)27(31,32)33)21-5-2-4-20(16-21)19-10-12-22(13-11-19)26(28,29)30/h2,4-5,8-16,24-25H,3,6-7,17H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine?
1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine has a molecular weight of 493.49 g/mol, XLogP of 8.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-6-[3-[4-(trifluoromethyl)phenyl]phenyl]piperidine is sourced from PubChem (CID 141238066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).