3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine

C13H17F2N — CID 106777987

IUPAC3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine
SMILESCC1CNCC(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2N/c1-9-4-10(8-16-7-9)5-11-6-12(14)2-3-13(11)15/h2-3,6,9-10,16H,4-5,7-8H2,1H3
InChIKeyAKJGVCJSWFUBTG-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.75
Rot. Bonds2

About 3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine

3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine (PubChem CID 106777987) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine
PubChem CID106777987
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine
SMILESCC1CNCC(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2N/c1-9-4-10(8-16-7-9)5-11-6-12(14)2-3-13(11)15/h2-3,6,9-10,16H,4-5,7-8H2,1H3
InChIKeyAKJGVCJSWFUBTG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one
CID 83261542
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
(3S)-3-(fluoromethyl)-5-methylpiperidine
CID 154687014
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 116928452
3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
CID 64515583
2-[(2,5-difluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020545
3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine
CID 84790383
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 64910057
4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine
CID 117463711
(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69140938

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine (CID 106777987) is 3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine is CC1CNCC(Cc2cc(F)ccc2F)C1.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine?
The InChIKey is AKJGVCJSWFUBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-4-10(8-16-7-9)5-11-6-12(14)2-3-13(11)15/h2-3,6,9-10,16H,4-5,7-8H2,1H3.
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine?
3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine has a molecular weight of 225.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine is sourced from PubChem (CID 106777987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).