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

C25H24F3N — CID 23585153

IUPAC3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccccc1-c1ccc(CN2CCCC(c3ccccc3)C2)cc1
InChIInChI=1S/C25H24F3N/c26-25(27,28)24-11-5-4-10-23(24)21-14-12-19(13-15-21)17-29-16-6-9-22(18-29)20-7-2-1-3-8-20/h1-5,7-8,10-15,22H,6,9,16-18H2
InChIKeyVVMFRJIOTJIKSV-UHFFFAOYSA-N
MW395.47 g/mol
LogP6.75
Rot. Bonds4

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

3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine (PubChem CID 23585153) has the molecular formula C25H24F3N and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine
PubChem CID23585153
Molecular FormulaC25H24F3N
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccccc1-c1ccc(CN2CCCC(c3ccccc3)C2)cc1
InChIInChI=1S/C25H24F3N/c26-25(27,28)24-11-5-4-10-23(24)21-14-12-19(13-15-21)17-29-16-6-9-22(18-29)20-7-2-1-3-8-20/h1-5,7-8,10-15,22H,6,9,16-18H2
InChIKeyVVMFRJIOTJIKSV-UHFFFAOYSA-N
XLogP6.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Paliroden
CID 11567682
L-687,384 hydrochloride
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1-Tritylpiperidine
CID 15372344
3,4-Dihydro-1'-(phenylmethyl)spiro(naphthalene-1(2H),4'-piperidine)
CID 125328
1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
CID 45487178
1-(2-Naphthylmethyl)-4-benzylpiperazine
CID 1376821
4-Benzyl-1-(3,4-difluorobenzyl)piperidine
CID 1377232
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CID 436347

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine?
The IUPAC name of 3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine (CID 23585153) is 3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine.
What is the SMILES notation for 3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine?
The canonical SMILES for 3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine is FC(F)(F)c1ccccc1-c1ccc(CN2CCCC(c3ccccc3)C2)cc1.
What is the InChIKey of 3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine?
The InChIKey is VVMFRJIOTJIKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N/c26-25(27,28)24-11-5-4-10-23(24)21-14-12-19(13-15-21)17-29-16-6-9-22(18-29)20-7-2-1-3-8-20/h1-5,7-8,10-15,22H,6,9,16-18H2.
What are the key properties of 3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine?
3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine has a molecular weight of 395.47 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperidine is sourced from PubChem (CID 23585153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).