2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine

C19H28F3NO — CID 162407080

IUPAC2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine
SMILESCC(CC(F)(F)F)(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C19H28F3NO/c1-16(2)12-9-13-17(3,4)23(16)24-18(5,14-19(20,21)22)15-10-7-6-8-11-15/h6-8,10-11H,9,12-14H2,1-5H3
InChIKeyNLOMXDMJIRZHGI-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.83
Rot. Bonds4

About 2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine

2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine (PubChem CID 162407080) has the molecular formula C19H28F3NO and a molecular weight of 343.43 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine
PubChem CID162407080
Molecular FormulaC19H28F3NO
Molecular Weight343.43 g/mol
Exact Mass343.21
IUPAC Name2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine
SMILESCC(CC(F)(F)F)(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C19H28F3NO/c1-16(2)12-9-13-17(3,4)23(16)24-18(5,14-19(20,21)22)15-10-7-6-8-11-15/h6-8,10-11H,9,12-14H2,1-5H3
InChIKeyNLOMXDMJIRZHGI-UHFFFAOYSA-N
XLogP5.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine (CID 162407080) is 2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine is CC(CC(F)(F)F)(ON1C(C)(C)CCCC1(C)C)c1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine?
The InChIKey is NLOMXDMJIRZHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO/c1-16(2)12-9-13-17(3,4)23(16)24-18(5,14-19(20,21)22)15-10-7-6-8-11-15/h6-8,10-11H,9,12-14H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine?
2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine has a molecular weight of 343.43 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(4,4,4-trifluoro-2-phenylbutan-2-yl)oxypiperidine is sourced from PubChem (CID 162407080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).