3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine

C20H18F3N — CID 174890689

IUPAC3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine
SMILESC=C1CNCC(=Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1
InChIInChI=1S/C20H18F3N/c1-14-10-16(13-24-12-14)11-15-2-4-17(5-3-15)18-6-8-19(9-7-18)20(21,22)23/h2-9,11,24H,1,10,12-13H2
InChIKeyUFOGIHNCAHHZFV-UHFFFAOYSA-N
MW329.37 g/mol
LogP5.31
Rot. Bonds2

About 3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine

3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine (PubChem CID 174890689) has the molecular formula C20H18F3N and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine.

Molecular Properties

Compound Name3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine
PubChem CID174890689
Molecular FormulaC20H18F3N
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine
SMILESC=C1CNCC(=Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1
InChIInChI=1S/C20H18F3N/c1-14-10-16(13-24-12-14)11-15-2-4-17(5-3-15)18-6-8-19(9-7-18)20(21,22)23/h2-9,11,24H,1,10,12-13H2
InChIKeyUFOGIHNCAHHZFV-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[4-bromo-3-(trifluoromethyl)phenyl]methylidene]azetidine
CID 163262931
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine
CID 79880639
3-[(4-bromophenyl)methylidene]azetidine;2,2,2-trifluoroacetic acid
CID 129137215
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 59729397
(3E)-3-[(4-fluorophenyl)methylidene]pyrrolidine
CID 66524773
(3Z)-3-[(4-fluorophenyl)methylidene]pyrrolidine
CID 122235633
7-[4-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
CID 12001289
(1E)-5-(trifluoromethyl)-2,3-bis[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methylidene]indene
CID 122231455
5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154812350
5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one
CID 24782363

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine?
The IUPAC name of 3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine (CID 174890689) is 3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine.
What is the SMILES notation for 3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine?
The canonical SMILES for 3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine is C=C1CNCC(=Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1.
What is the InChIKey of 3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine?
The InChIKey is UFOGIHNCAHHZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N/c1-14-10-16(13-24-12-14)11-15-2-4-17(5-3-15)18-6-8-19(9-7-18)20(21,22)23/h2-9,11,24H,1,10,12-13H2.
What are the key properties of 3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine?
3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine has a molecular weight of 329.37 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylidene]piperidine is sourced from PubChem (CID 174890689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).