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

C14H16F3N — CID 134879800

IUPAC1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine
SMILESFC(F)(F)/C(=C\c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13(18-9-5-2-6-10-18)11-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2/b13-11+
InChIKeyLYWILEMDKRTJFA-ACCUITESSA-N
MW255.28 g/mol
LogP4.08
Rot. Bonds2

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

1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine (PubChem CID 134879800) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine.

Molecular Properties

Compound Name1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine
PubChem CID134879800
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine
SMILESFC(F)(F)/C(=C\c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13(18-9-5-2-6-10-18)11-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2/b13-11+
InChIKeyLYWILEMDKRTJFA-ACCUITESSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1-(2-phenylethyl)-
CID 9513
1-(3-Phenyl-2-propyn-1-yl)piperidine
CID 200711
Piperidine, 1-(5-phenylpentyl)-
CID 10331473
1-(3-Phenylprop-2-yn-1-yl)piperidine hydrochloride
CID 2827420
1-(3-Phenylpropyl)piperidine
CID 11171707
1-Propyl-4-(3-trifluoromethyl-phenyl)-piperidine
CID 22397830
N-propyl-3-(m-trifluoromethylphenyl)-piperidine
CID 3053803
3-Methyl-1-phenethyl-piperidine
CID 10241987
1-Methyl-4-(1-phenyl-ethylidene)-piperidine
CID 10631921
4-Methyl-1-phenethyl-piperidine
CID 15153362
4-Methyl-1-(3-phenyl-propyl)-piperidine
CID 44364112
3-Methyl-1-(3-phenyl-propyl)-piperidine
CID 44364254

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine?
The IUPAC name of 1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine (CID 134879800) is 1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine.
What is the SMILES notation for 1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine?
The canonical SMILES for 1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine is FC(F)(F)/C(=C\c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine?
The InChIKey is LYWILEMDKRTJFA-ACCUITESSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)13(18-9-5-2-6-10-18)11-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2/b13-11+.
What are the key properties of 1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine?
1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine has a molecular weight of 255.28 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine is sourced from PubChem (CID 134879800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).