1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine

C17H25F2NO — CID 162403663

IUPAC1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine
SMILESCc1cccc(C(F)(F)ON2C(C)(C)CCCC2(C)C)c1
InChIInChI=1S/C17H25F2NO/c1-13-8-6-9-14(12-13)17(18,19)21-20-15(2,3)10-7-11-16(20,4)5/h6,8-9,12H,7,10-11H2,1-5H3
InChIKeyGTEVMSCJXCGTJX-UHFFFAOYSA-N
MW297.39 g/mol
LogP5.02
Rot. Bonds3

About 1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine

1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 162403663) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID162403663
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine
SMILESCc1cccc(C(F)(F)ON2C(C)(C)CCCC2(C)C)c1
InChIInChI=1S/C17H25F2NO/c1-13-8-6-9-14(12-13)17(18,19)21-20-15(2,3)10-7-11-16(20,4)5/h6,8-9,12H,7,10-11H2,1-5H3
InChIKeyGTEVMSCJXCGTJX-UHFFFAOYSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine (CID 162403663) is 1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine is Cc1cccc(C(F)(F)ON2C(C)(C)CCCC2(C)C)c1.
What is the InChIKey of 1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is GTEVMSCJXCGTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-13-8-6-9-14(12-13)17(18,19)21-20-15(2,3)10-7-11-16(20,4)5/h6,8-9,12H,7,10-11H2,1-5H3.
What are the key properties of 1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine?
1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 297.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(3-methylphenyl)methoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 162403663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).