1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine

C21H22F3N — CID 156560783

IUPAC1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESC=C(c1ccc(C)cc1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H22F3N/c1-15-3-5-17(6-4-15)16(2)25-13-11-19(12-14-25)18-7-9-20(10-8-18)21(22,23)24/h3-10,19H,2,11-14H2,1H3
InChIKeyLZNYLHLQWDWSJV-UHFFFAOYSA-N
MW345.41 g/mol
LogP5.86
Rot. Bonds3

About 1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine

1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 156560783) has the molecular formula C21H22F3N and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID156560783
Molecular FormulaC21H22F3N
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESC=C(c1ccc(C)cc1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H22F3N/c1-15-3-5-17(6-4-15)16(2)25-13-11-19(12-14-25)18-7-9-20(10-8-18)21(22,23)24/h3-10,19H,2,11-14H2,1H3
InChIKeyLZNYLHLQWDWSJV-UHFFFAOYSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.41
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
CID 130216383
1-[1-[4-[3-(2-ethylsulfanylethoxy)oxetan-3-yl]phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 156800894
1-[1-(1-tert-butylpyrrolidin-3-yl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 126749255
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene
CID 143672715
(2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
CID 162583231
3-amino-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120874023
2-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]sulfanylacetic acid
CID 120551044
[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 156536891
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride
CID 120641199

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine (CID 156560783) is 1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine is C=C(c1ccc(C)cc1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is LZNYLHLQWDWSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N/c1-15-3-5-17(6-4-15)16(2)25-13-11-19(12-14-25)18-7-9-20(10-8-18)21(22,23)24/h3-10,19H,2,11-14H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine?
1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 345.41 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 156560783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).