2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine

C18H20F3NO — CID 173195156

IUPAC2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine
SMILESFC(F)(F)c1ccccc1ON1CCCCC1C1=CCCC=C1
InChIInChI=1S/C18H20F3NO/c19-18(20,21)15-10-4-5-12-17(15)23-22-13-7-6-11-16(22)14-8-2-1-3-9-14/h2,4-5,8-10,12,16H,1,3,6-7,11,13H2
InChIKeyBNMNCZYOUFAACE-UHFFFAOYSA-N
MW323.36 g/mol
LogP5.13
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine

2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine (PubChem CID 173195156) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine
PubChem CID173195156
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine
SMILESFC(F)(F)c1ccccc1ON1CCCCC1C1=CCCC=C1
InChIInChI=1S/C18H20F3NO/c19-18(20,21)15-10-4-5-12-17(15)23-22-13-7-6-11-16(22)14-8-2-1-3-9-14/h2,4-5,8-10,12,16H,1,3,6-7,11,13H2
InChIKeyBNMNCZYOUFAACE-UHFFFAOYSA-N
XLogP5.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.36
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine (CID 173195156) is 2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine is FC(F)(F)c1ccccc1ON1CCCCC1C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is BNMNCZYOUFAACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c19-18(20,21)15-10-4-5-12-17(15)23-22-13-7-6-11-16(22)14-8-2-1-3-9-14/h2,4-5,8-10,12,16H,1,3,6-7,11,13H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine?
2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 323.36 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-1-[2-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 173195156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).