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

C13H16F3N — CID 112563782

IUPAC4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine
SMILESCc1ccc(F)c(C(F)C2CCNCC2)c1F
InChIInChI=1S/C13H16F3N/c1-8-2-3-10(14)11(12(8)15)13(16)9-4-6-17-7-5-9/h2-3,9,13,17H,4-7H2,1H3
InChIKeyLYNQZNJWJPWXQE-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.28
Rot. Bonds2

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

4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine (PubChem CID 112563782) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine
PubChem CID112563782
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine
SMILESCc1ccc(F)c(C(F)C2CCNCC2)c1F
InChIInChI=1S/C13H16F3N/c1-8-2-3-10(14)11(12(8)15)13(16)9-4-6-17-7-5-9/h2-3,9,13,17H,4-7H2,1H3
InChIKeyLYNQZNJWJPWXQE-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine
CID 112565433
1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171166678
1-[(R)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171171848
1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171293020
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride
CID 90039406
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol
CID 171298409
4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine
CID 112563629
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine
CID 90039118

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine?
The IUPAC name of 4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine (CID 112563782) is 4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine.
What is the SMILES notation for 4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine?
The canonical SMILES for 4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine is Cc1ccc(F)c(C(F)C2CCNCC2)c1F.
What is the InChIKey of 4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine?
The InChIKey is LYNQZNJWJPWXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8-2-3-10(14)11(12(8)15)13(16)9-4-6-17-7-5-9/h2-3,9,13,17H,4-7H2,1H3.
What are the key properties of 4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine?
4-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine has a molecular weight of 243.27 g/mol, XLogP of 3.28, 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)-fluoromethyl]piperidine is sourced from PubChem (CID 112563782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).