1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine

C18H22F3N — CID 144567550

IUPAC1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine
SMILESC=C(C)c1ccccc1C(=C)CN1CCCCC1C(F)(F)F
InChIInChI=1S/C18H22F3N/c1-13(2)15-8-4-5-9-16(15)14(3)12-22-11-7-6-10-17(22)18(19,20)21/h4-5,8-9,17H,1,3,6-7,10-12H2,2H3
InChIKeyYPBDQVXDDBBEHU-UHFFFAOYSA-N
MW309.38 g/mol
LogP5.15
Rot. Bonds4

About 1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine

1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine (PubChem CID 144567550) has the molecular formula C18H22F3N and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine
PubChem CID144567550
Molecular FormulaC18H22F3N
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine
SMILESC=C(C)c1ccccc1C(=C)CN1CCCCC1C(F)(F)F
InChIInChI=1S/C18H22F3N/c1-13(2)15-8-4-5-9-16(15)14(3)12-22-11-7-6-10-17(22)18(19,20)21/h4-5,8-9,17H,1,3,6-7,10-12H2,2H3
InChIKeyYPBDQVXDDBBEHU-UHFFFAOYSA-N
XLogP5.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.38
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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CID 10330528
1-Propyl-4-(3-trifluoromethyl-phenyl)-piperidine
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3-(3,4-Dimethylphenyl)-1-propylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine?
The IUPAC name of 1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine (CID 144567550) is 1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine is C=C(C)c1ccccc1C(=C)CN1CCCCC1C(F)(F)F.
What is the InChIKey of 1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine?
The InChIKey is YPBDQVXDDBBEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N/c1-13(2)15-8-4-5-9-16(15)14(3)12-22-11-7-6-10-17(22)18(19,20)21/h4-5,8-9,17H,1,3,6-7,10-12H2,2H3.
What are the key properties of 1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine?
1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine has a molecular weight of 309.38 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-prop-1-en-2-ylphenyl)prop-2-enyl]-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 144567550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).