3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine

C13H17F2N — CID 84790249

IUPAC3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CC2CCCNC2)c(F)c1F
InChIInChI=1S/C13H17F2N/c1-9-4-5-11(13(15)12(9)14)7-10-3-2-6-16-8-10/h4-5,10,16H,2-3,6-8H2,1H3
InChIKeyQHRBIPXMEMAHDJ-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.82
Rot. Bonds2

About 3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine

3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine (PubChem CID 84790249) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
PubChem CID84790249
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
SMILESCc1ccc(CC2CCCNC2)c(F)c1F
InChIInChI=1S/C13H17F2N/c1-9-4-5-11(13(15)12(9)14)7-10-3-2-6-16-8-10/h4-5,10,16H,2-3,6-8H2,1H3
InChIKeyQHRBIPXMEMAHDJ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine
CID 84814784
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377672
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone
CID 107514868
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine?
The IUPAC name of 3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine (CID 84790249) is 3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine is Cc1ccc(CC2CCCNC2)c(F)c1F.
What is the InChIKey of 3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine?
The InChIKey is QHRBIPXMEMAHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-4-5-11(13(15)12(9)14)7-10-3-2-6-16-8-10/h4-5,10,16H,2-3,6-8H2,1H3.
What are the key properties of 3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine?
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine has a molecular weight of 225.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84790249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).