1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine

C14H15BrF3N — CID 134935757

IUPAC1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine
SMILESFC(F)(F)/C(=C(/Br)c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H15BrF3N/c15-12(11-7-3-1-4-8-11)13(14(16,17)18)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2/b13-12-
InChIKeyFORBLKFLYHHMNA-SEYXRHQNSA-N
MW334.18 g/mol
LogP4.80
Rot. Bonds2

About 1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine

1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine (PubChem CID 134935757) has the molecular formula C14H15BrF3N and a molecular weight of 334.18 g/mol. Its IUPAC name is 1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine.

Molecular Properties

Compound Name1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine
PubChem CID134935757
Molecular FormulaC14H15BrF3N
Molecular Weight334.18 g/mol
Exact Mass333.03
IUPAC Name1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine
SMILESFC(F)(F)/C(=C(/Br)c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H15BrF3N/c15-12(11-7-3-1-4-8-11)13(14(16,17)18)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2/b13-12-
InChIKeyFORBLKFLYHHMNA-SEYXRHQNSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine
CID 11359609
1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine
CID 134879800
1-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]piperidine
CID 134931966
1-[(Z)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]piperidine
CID 134932049
1-(3-Phenylpropyl)-4-(trifluoromethyl)piperidine
CID 139211011
4,4-Difluoro-1-(3-phenylpropyl)piperidine
CID 139211015
1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]pyrrolidine
CID 139246008
1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine
CID 139246009
4-Bromo-1-[2-(4-fluorophenyl)ethyl]piperidine
CID 21898108
1-[(4-Bromophenyl)methyl]-4,4-difluoropiperidine
CID 21914487
2-Bromo-1-[3-[3-(trifluoromethyl)phenyl]hex-3-enyl]piperidine
CID 54392414
1-[(Z)-6-bromo-3-[3-(trifluoromethyl)phenyl]hex-3-enyl]piperidine
CID 68120347

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine?
The IUPAC name of 1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine (CID 134935757) is 1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine.
What is the SMILES notation for 1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine?
The canonical SMILES for 1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine is FC(F)(F)/C(=C(/Br)c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine?
The InChIKey is FORBLKFLYHHMNA-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H15BrF3N/c15-12(11-7-3-1-4-8-11)13(14(16,17)18)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2/b13-12-.
What are the key properties of 1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine?
1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine has a molecular weight of 334.18 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine is sourced from PubChem (CID 134935757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).