1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine

C17H21F6NO — CID 20773347

IUPAC1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine
SMILESCc1ccc(C(OCCN2CCCCC2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H21F6NO/c1-13-5-7-14(8-6-13)15(16(18,19)20,17(21,22)23)25-12-11-24-9-3-2-4-10-24/h5-8H,2-4,9-12H2,1H3
InChIKeyWWKSQTNWZQRYBQ-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.82
Rot. Bonds5

About 1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine

1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine (PubChem CID 20773347) has the molecular formula C17H21F6NO and a molecular weight of 369.35 g/mol. Its IUPAC name is 1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine
PubChem CID20773347
Molecular FormulaC17H21F6NO
Molecular Weight369.35 g/mol
Exact Mass369.15
IUPAC Name1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine
SMILESCc1ccc(C(OCCN2CCCCC2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H21F6NO/c1-13-5-7-14(8-6-13)15(16(18,19)20,17(21,22)23)25-12-11-24-9-3-2-4-10-24/h5-8H,2-4,9-12H2,1H3
InChIKeyWWKSQTNWZQRYBQ-UHFFFAOYSA-N
XLogP4.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine (CID 20773347) is 1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine is Cc1ccc(C(OCCN2CCCCC2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine?
The InChIKey is WWKSQTNWZQRYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F6NO/c1-13-5-7-14(8-6-13)15(16(18,19)20,17(21,22)23)25-12-11-24-9-3-2-4-10-24/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine?
1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine has a molecular weight of 369.35 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxyethyl]piperidine is sourced from PubChem (CID 20773347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).