1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine

C14H15BrF3N — CID 139246009

IUPAC1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine
SMILESFC(F)(F)/C(=C/c1ccccc1Br)N1CCCCC1
InChIInChI=1S/C14H15BrF3N/c15-12-7-3-2-6-11(12)10-13(14(16,17)18)19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9H2/b13-10-
InChIKeyKCFGGCCZPCCCKU-RAXLEYEMSA-N
MW334.18 g/mol
LogP4.84
Rot. Bonds2

About 1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine

1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine (PubChem CID 139246009) has the molecular formula C14H15BrF3N and a molecular weight of 334.18 g/mol. Its IUPAC name is 1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine.

Molecular Properties

Compound Name1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine
PubChem CID139246009
Molecular FormulaC14H15BrF3N
Molecular Weight334.18 g/mol
Exact Mass333.03
IUPAC Name1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine
SMILESFC(F)(F)/C(=C/c1ccccc1Br)N1CCCCC1
InChIInChI=1S/C14H15BrF3N/c15-12-7-3-2-6-11(12)10-13(14(16,17)18)19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9H2/b13-10-
InChIKeyKCFGGCCZPCCCKU-RAXLEYEMSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1-(4-(o-bromophenyl)-2-butenyl)-, hydrochloride
CID 6445378
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-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine
CID 134935757
1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]pyrrolidine
CID 139246008
1-[(E)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidin-1-ium;trifluoromethanesulfonate
CID 176421123
1-[(E)-2-(4-bromophenyl)ethenyl]piperidine
CID 146169747
1-[(4-Bromophenyl)methyl]-4,4-difluoropiperidine
CID 21914487
1-[[2-Bromo-5-(trifluoromethyl)phenyl]methyl]-piperidine
CID 58734156
1-(4-Bromobenzyl)-4-trifluoromethylpiperidine
CID 65536400
N-[(2-bromophenyl)-difluoromethyl]-N-methylethanamine
CID 66836634

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine?
The IUPAC name of 1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine (CID 139246009) is 1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine.
What is the SMILES notation for 1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine?
The canonical SMILES for 1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine is FC(F)(F)/C(=C/c1ccccc1Br)N1CCCCC1.
What is the InChIKey of 1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine?
The InChIKey is KCFGGCCZPCCCKU-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H15BrF3N/c15-12-7-3-2-6-11(12)10-13(14(16,17)18)19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9H2/b13-10-.
What are the key properties of 1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine?
1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine has a molecular weight of 334.18 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(2-bromophenyl)-3,3,3-trifluoroprop-1-en-2-yl]piperidine is sourced from PubChem (CID 139246009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).