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

C13H17F2N — CID 84725689

IUPAC3-[difluoro-(2-methylphenyl)methyl]piperidine
SMILESCc1ccccc1C(F)(F)C1CCCNC1
InChIInChI=1S/C13H17F2N/c1-10-5-2-3-7-12(10)13(14,15)11-6-4-8-16-9-11/h2-3,5,7,11,16H,4,6,8-9H2,1H3
InChIKeyZYNRUXRHBRUAGV-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.09
Rot. Bonds2

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

3-[difluoro-(2-methylphenyl)methyl]piperidine (PubChem CID 84725689) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-[difluoro-(2-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[difluoro-(2-methylphenyl)methyl]piperidine
PubChem CID84725689
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-[difluoro-(2-methylphenyl)methyl]piperidine
SMILESCc1ccccc1C(F)(F)C1CCCNC1
InChIInChI=1S/C13H17F2N/c1-10-5-2-3-7-12(10)13(14,15)11-6-4-8-16-9-11/h2-3,5,7,11,16H,4,6,8-9H2,1H3
InChIKeyZYNRUXRHBRUAGV-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine
CID 116838867
3-[difluoro-(2-methylphenyl)methyl]azetidine
CID 105450558
3-[difluoro-(2-methoxyphenyl)methyl]piperidine
CID 84728168
3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 116838895
3-[difluoro-(4-methoxy-2,5-dimethylphenyl)methyl]piperidine
CID 116838879
3-[difluoro(naphthalen-2-yl)methyl]piperidine
CID 116838927
1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol
CID 105457980
3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine
CID 112564829
3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692
3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine
CID 104663559
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine
CID 116838786

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro-(2-methylphenyl)methyl]piperidine?
The IUPAC name of 3-[difluoro-(2-methylphenyl)methyl]piperidine (CID 84725689) is 3-[difluoro-(2-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[difluoro-(2-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-[difluoro-(2-methylphenyl)methyl]piperidine is Cc1ccccc1C(F)(F)C1CCCNC1.
What is the InChIKey of 3-[difluoro-(2-methylphenyl)methyl]piperidine?
The InChIKey is ZYNRUXRHBRUAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-10-5-2-3-7-12(10)13(14,15)11-6-4-8-16-9-11/h2-3,5,7,11,16H,4,6,8-9H2,1H3.
What are the key properties of 3-[difluoro-(2-methylphenyl)methyl]piperidine?
3-[difluoro-(2-methylphenyl)methyl]piperidine has a molecular weight of 225.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro-(2-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84725689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).