4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

C29H32F3NO2 — CID 24784706

IUPAC4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESCOc1cc(C)c(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C29H32F3NO2/c1-20-14-27(34-3)21(2)13-26(20)23-15-22(16-25(17-23)29(30,31)32)18-35-19-28(9-11-33-12-10-28)24-7-5-4-6-8-24/h4-8,13-17,33H,9-12,18-19H2,1-3H3
InChIKeyNXKHJFHMQMTGDA-UHFFFAOYSA-N
MW483.57 g/mol
LogP6.84
Rot. Bonds7

About 4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 24784706) has the molecular formula C29H32F3NO2 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID24784706
Molecular FormulaC29H32F3NO2
Molecular Weight483.57 g/mol
Exact Mass483.24
IUPAC Name4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESCOc1cc(C)c(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C29H32F3NO2/c1-20-14-27(34-3)21(2)13-26(20)23-15-22(16-25(17-23)29(30,31)32)18-35-19-28(9-11-33-12-10-28)24-7-5-4-6-8-24/h4-8,13-17,33H,9-12,18-19H2,1-3H3
InChIKeyNXKHJFHMQMTGDA-UHFFFAOYSA-N
XLogP6.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 143563810
2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24782154
3-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785975
4-methyl-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24782653
4-[[3-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24783931
4-[[3-(3,5-dibromophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24784705
4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785977
4-[[3-[4-(4-methylsulfanylphenyl)phenyl]-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24783165
[3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol
CID 24784708
(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane
CID 11654898
2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 58993510
3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline
CID 143563799

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 24784706) is 4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is COc1cc(C)c(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cc1C.
What is the InChIKey of 4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is NXKHJFHMQMTGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3NO2/c1-20-14-27(34-3)21(2)13-26(20)23-15-22(16-25(17-23)29(30,31)32)18-35-19-28(9-11-33-12-10-28)24-7-5-4-6-8-24/h4-8,13-17,33H,9-12,18-19H2,1-3H3.
What are the key properties of 4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine has a molecular weight of 483.57 g/mol, XLogP of 6.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 24784706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).