3,3-difluoro-5-methyl-2-phenylpiperidine

C12H15F2N — CID 167240440

IUPAC3,3-difluoro-5-methyl-2-phenylpiperidine
SMILESCC1CNC(c2ccccc2)C(F)(F)C1
InChIInChI=1S/C12H15F2N/c1-9-7-12(13,14)11(15-8-9)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3
InChIKeyOBZDTXOZQRZTAT-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.99
Rot. Bonds1

About 3,3-difluoro-5-methyl-2-phenylpiperidine

3,3-difluoro-5-methyl-2-phenylpiperidine (PubChem CID 167240440) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 3,3-difluoro-5-methyl-2-phenylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-5-methyl-2-phenylpiperidine
PubChem CID167240440
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3,3-difluoro-5-methyl-2-phenylpiperidine
SMILESCC1CNC(c2ccccc2)C(F)(F)C1
InChIInChI=1S/C12H15F2N/c1-9-7-12(13,14)11(15-8-9)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3
InChIKeyOBZDTXOZQRZTAT-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-2-phenylpyrrolidine;hydrochloride
CID 84724544
ethane;4-methyl-2-phenylpyrrolidine
CID 142973679
(2R,4R)-4-methyl-2-phenylpyrrolidine
CID 101063094
(1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol
CID 69433064
ethane;(2S)-2-phenylaziridine
CID 145185749
ethane;2-methyl-4-phenylpyrrolidine
CID 176952755
(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol
CID 58907340
ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane
CID 165136172
4,4-difluoro-2-phenylpiperidine;ethane
CID 145285471
(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate
CID 58907322
(2R,5S)-2-methyl-5-phenylpiperidine
CID 95374662
ethane;3-methyl-2-phenylpyrrolidine
CID 162762531

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-methyl-2-phenylpiperidine?
The IUPAC name of 3,3-difluoro-5-methyl-2-phenylpiperidine (CID 167240440) is 3,3-difluoro-5-methyl-2-phenylpiperidine.
What is the SMILES notation for 3,3-difluoro-5-methyl-2-phenylpiperidine?
The canonical SMILES for 3,3-difluoro-5-methyl-2-phenylpiperidine is CC1CNC(c2ccccc2)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-5-methyl-2-phenylpiperidine?
The InChIKey is OBZDTXOZQRZTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-9-7-12(13,14)11(15-8-9)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3.
What are the key properties of 3,3-difluoro-5-methyl-2-phenylpiperidine?
3,3-difluoro-5-methyl-2-phenylpiperidine has a molecular weight of 211.26 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-methyl-2-phenylpiperidine is sourced from PubChem (CID 167240440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).