3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine

C13H17F2N — CID 84689880

IUPAC3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CC2CCNCC2(F)F)cc1
InChIInChI=1S/C13H17F2N/c1-10-2-4-11(5-3-10)8-12-6-7-16-9-13(12,14)15/h2-5,12,16H,6-9H2,1H3
InChIKeyZSXMXBGKFOXWBM-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.78
Rot. Bonds2

About 3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine

3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine (PubChem CID 84689880) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine
PubChem CID84689880
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CC2CCNCC2(F)F)cc1
InChIInChI=1S/C13H17F2N/c1-10-2-4-11(5-3-10)8-12-6-7-16-9-13(12,14)15/h2-5,12,16H,6-9H2,1H3
InChIKeyZSXMXBGKFOXWBM-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine?
The IUPAC name of 3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine (CID 84689880) is 3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine?
The canonical SMILES for 3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine is Cc1ccc(CC2CCNCC2(F)F)cc1.
What is the InChIKey of 3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine?
The InChIKey is ZSXMXBGKFOXWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-10-2-4-11(5-3-10)8-12-6-7-16-9-13(12,14)15/h2-5,12,16H,6-9H2,1H3.
What are the key properties of 3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine?
3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine has a molecular weight of 225.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84689880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).