4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine

C13H17F2N — CID 82823243

IUPAC4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
SMILESCc1ccc(F)c(CC2CCNCC2)c1F
InChIInChI=1S/C13H17F2N/c1-9-2-3-12(14)11(13(9)15)8-10-4-6-16-7-5-10/h2-3,10,16H,4-8H2,1H3
InChIKeyLJBWSWXGHQSABN-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.82
Rot. Bonds2

About 4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine

4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine (PubChem CID 82823243) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
PubChem CID82823243
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
SMILESCc1ccc(F)c(CC2CCNCC2)c1F
InChIInChI=1S/C13H17F2N/c1-9-2-3-12(14)11(13(9)15)8-10-4-6-16-7-5-10/h2-3,10,16H,4-8H2,1H3
InChIKeyLJBWSWXGHQSABN-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-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine
CID 84791855
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84791339
4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398054
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
4-[(6-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398051

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine (CID 82823243) is 4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine is Cc1ccc(F)c(CC2CCNCC2)c1F.
What is the InChIKey of 4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine?
The InChIKey is LJBWSWXGHQSABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-2-3-12(14)11(13(9)15)8-10-4-6-16-7-5-10/h2-3,10,16H,4-8H2,1H3.
What are the key properties of 4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine?
4-[(2,6-difluoro-3-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 4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine is sourced from PubChem (CID 82823243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).